tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride

C14H29ClN2O2 — CID 119031291

IUPACtert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCCNCC1CCCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-14(2,3)18-13(17)16-10-6-9-15-11-12-7-4-5-8-12;/h12,15H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyLHTIWCRFKXHJDC-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.10
Rot. Bonds6

About tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride

tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride (PubChem CID 119031291) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
PubChem CID119031291
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Nametert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCCCNCC1CCCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-14(2,3)18-13(17)16-10-6-9-15-11-12-7-4-5-8-12;/h12,15H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyLHTIWCRFKXHJDC-UHFFFAOYSA-N
XLogP3.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
CID 164901187
tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
CID 112688812
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
tert-butyl N-[4-(cyclopentylmethylamino)-5-methoxypentyl]carbamate
CID 103387806
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride (CID 119031291) is tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCCCNCC1CCCC1.Cl.
What is the InChIKey of tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride?
The InChIKey is LHTIWCRFKXHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-14(2,3)18-13(17)16-10-6-9-15-11-12-7-4-5-8-12;/h12,15H,4-11H2,1-3H3,(H,16,17);1H.
What are the key properties of tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride?
tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cyclopentylmethylamino)propyl]carbamate;hydrochloride is sourced from PubChem (CID 119031291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).