tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate

C14H29N3O2 — CID 107248120

IUPACtert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCC(N)C1
InChIInChI=1S/C14H29N3O2/c1-10(9-16-13(18)19-14(2,3)4)17-12-7-5-6-11(15)8-12/h10-12,17H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyJUKHANZBRWFFRN-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.76
Rot. Bonds4

About tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate

tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate (PubChem CID 107248120) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
PubChem CID107248120
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Nametert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NC1CCCC(N)C1
InChIInChI=1S/C14H29N3O2/c1-10(9-16-13(18)19-14(2,3)4)17-12-7-5-6-11(15)8-12/h10-12,17H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyJUKHANZBRWFFRN-UHFFFAOYSA-N
XLogP1.76
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(oxepan-4-ylamino)propyl]carbamate
CID 107248450
tert-butyl N-[2-cyclopropyl-2-[(3-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699774
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[2-[[3-(2-methylpropyl)cyclohexyl]amino]butyl]carbamate
CID 107428869
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[4-methyl-2-[(3-methylcyclohexyl)amino]pentyl]carbamate
CID 107252163
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate (CID 107248120) is tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NC1CCCC(N)C1.
What is the InChIKey of tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate?
The InChIKey is JUKHANZBRWFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(9-16-13(18)19-14(2,3)4)17-12-7-5-6-11(15)8-12/h10-12,17H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate?
tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-aminocyclohexyl)amino]propyl]carbamate is sourced from PubChem (CID 107248120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).