tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate

C19H38N4O3 — CID 109391676

IUPACtert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate
SMILESCCCN(CC/N=C(\NCC)NC1CCC(O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H38N4O3/c1-6-13-23(18(25)26-19(3,4)5)14-12-21-17(20-7-2)22-15-8-10-16(24)11-9-15/h15-16,24H,6-14H2,1-5H3,(H2,20,21,22)
InChIKeyAKBBDHKUAWRSFS-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.49
Rot. Bonds7

About tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate

tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate (PubChem CID 109391676) has the molecular formula C19H38N4O3 and a molecular weight of 370.54 g/mol. Its IUPAC name is tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate
PubChem CID109391676
Molecular FormulaC19H38N4O3
Molecular Weight370.54 g/mol
Exact Mass370.29
IUPAC Nametert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate
SMILESCCCN(CC/N=C(\NCC)NC1CCC(O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H38N4O3/c1-6-13-23(18(25)26-19(3,4)5)14-12-21-17(20-7-2)22-15-8-10-16(24)11-9-15/h15-16,24H,6-14H2,1-5H3,(H2,20,21,22)
InChIKeyAKBBDHKUAWRSFS-UHFFFAOYSA-N
XLogP2.49
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-methylcarbamate
CID 111190918
tert-butyl N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109391477
tert-butyl N-[2-[[[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate
CID 109395249
tert-butyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-N-ethylcarbamate;hydroiodide
CID 110991852
tert-butyl N-[2-[[ethylamino-[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109394286
tert-butyl N-[2-[[ethylamino-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109395755
tert-butyl N-[4-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]butan-2-yl]-N-methylcarbamate;hydroiodide
CID 111979080
tert-butyl N-[2-[[ethylamino-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-N-propylcarbamate
CID 109395199
tert-butyl N-[2-[[ethylamino-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109395214
tert-butyl N-[2-[[[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109392805
tert-butyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]carbamate
CID 110992747
tert-butyl 7-[[(cyclopropylamino)-(ethylamino)methylidene]amino]heptanoate
CID 111826537

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate?
The IUPAC name of tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate (CID 109391676) is tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate is CCCN(CC/N=C(\NCC)NC1CCC(O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate?
The InChIKey is AKBBDHKUAWRSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O3/c1-6-13-23(18(25)26-19(3,4)5)14-12-21-17(20-7-2)22-15-8-10-16(24)11-9-15/h15-16,24H,6-14H2,1-5H3,(H2,20,21,22).
What are the key properties of tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate?
tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate has a molecular weight of 370.54 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]-N-propylcarbamate is sourced from PubChem (CID 109391676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).