tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate

C18H36N2O2 — CID 103947988

IUPACtert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
SMILESCCCCCCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-5-6-7-8-9-14-19-15-10-12-16(13-11-15)20-17(21)22-18(2,3)4/h15-16,19H,5-14H2,1-4H3,(H,20,21)
InChIKeyNQHBRUUEGFVMLR-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.38
Rot. Bonds8

About tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate

tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate (PubChem CID 103947988) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
PubChem CID103947988
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
SMILESCCCCCCCNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N2O2/c1-5-6-7-8-9-14-19-15-10-12-16(13-11-15)20-17(21)22-18(2,3)4/h15-16,19H,5-14H2,1-4H3,(H,20,21)
InChIKeyNQHBRUUEGFVMLR-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[4-(3-hydroxypropylamino)cyclohexyl]carbamate
CID 79113499
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[2-(heptylamino)cycloheptyl]carbamate
CID 107244101
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 79114724
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[7-[(4-aminocyclohexyl)amino]heptyl]carbamate
CID 177068003
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[4-[3-(azetidin-3-ylamino)propoxy]cyclohexyl]carbamate
CID 107252500
methyl 2-[4-(hexylcarbamoylamino)cyclohexyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 69151123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate (CID 103947988) is tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate is CCCCCCCNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate?
The InChIKey is NQHBRUUEGFVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-5-6-7-8-9-14-19-15-10-12-16(13-11-15)20-17(21)22-18(2,3)4/h15-16,19H,5-14H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103947988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).