tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate

C19H30N4O2 — CID 111884785

IUPACtert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
SMILESCCN/C(=N\CCNC(=O)OC(C)(C)C)NC1CC1c1ccccc1
InChIInChI=1S/C19H30N4O2/c1-5-20-17(21-11-12-22-18(24)25-19(2,3)4)23-16-13-15(16)14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3,(H,22,24)(H2,20,21,23)
InChIKeyKCHIGEQIXCCUGT-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.62
Rot. Bonds6

About tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate

tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate (PubChem CID 111884785) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
PubChem CID111884785
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nametert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
SMILESCCN/C(=N\CCNC(=O)OC(C)(C)C)NC1CC1c1ccccc1
InChIInChI=1S/C19H30N4O2/c1-5-20-17(21-11-12-22-18(24)25-19(2,3)4)23-16-13-15(16)14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3,(H,22,24)(H2,20,21,23)
InChIKeyKCHIGEQIXCCUGT-UHFFFAOYSA-N
XLogP2.62
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
tert-butyl N-[2-[[[(1-benzyl-2-methylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]carbamate
CID 109459190
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
CID 111961317
tert-butyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]carbamate
CID 110992747
tert-butyl N-[1-[N'-ethyl-N-(2-phenylcyclopropyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730451
tert-butyl N-[3-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]propyl]carbamate
CID 111908771
1-ethyl-3-(2-phenylcyclopropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111259689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate (CID 111884785) is tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate is CCN/C(=N\CCNC(=O)OC(C)(C)C)NC1CC1c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate?
The InChIKey is KCHIGEQIXCCUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-20-17(21-11-12-22-18(24)25-19(2,3)4)23-16-13-15(16)14-9-7-6-8-10-14/h6-10,15-16H,5,11-13H2,1-4H3,(H,22,24)(H2,20,21,23).
What are the key properties of tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate?
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate has a molecular weight of 346.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate is sourced from PubChem (CID 111884785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).