tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate

C15H31N3O2 — CID 102729511

IUPACtert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCCCCCC1
InChIInChI=1S/C15H31N3O2/c1-15(2,3)20-14(19)17-12-13(11-16)18-9-7-5-4-6-8-10-18/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyCQAMBQTYMRDCOO-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.10
Rot. Bonds4

About tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate

tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate (PubChem CID 102729511) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
PubChem CID102729511
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)N1CCCCCCC1
InChIInChI=1S/C15H31N3O2/c1-15(2,3)20-14(19)17-12-13(11-16)18-9-7-5-4-6-8-10-18/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyCQAMBQTYMRDCOO-UHFFFAOYSA-N
XLogP2.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate 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-(4-amino-3-piperidin-1-ylbutyl)carbamate
CID 102729464
tert-butyl N-(3-amino-2-morpholin-4-ylpropyl)carbamate
CID 102729414
tert-butyl N-(3-amino-2-thiomorpholin-4-ylpropyl)carbamate
CID 102729505
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[3-amino-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]carbamate
CID 102730540
tert-butyl N-[3-amino-2-(3-propan-2-ylpyrrolidin-1-yl)propyl]carbamate
CID 102730438
tert-butyl N-[3-amino-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]carbamate
CID 102730031
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
tert-butyl N-[2-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]propyl]carbamate
CID 103387657
tert-butyl N-[4-amino-3-(4-cyclopropylpiperazin-1-yl)butyl]carbamate
CID 102729770
tert-butyl N-(3-cyano-3-piperidin-1-ylpropyl)carbamate
CID 102730820

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate (CID 102729511) is tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate is CC(C)(C)OC(=O)NCC(CN)N1CCCCCCC1.
What is the InChIKey of tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate?
The InChIKey is CQAMBQTYMRDCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-15(2,3)20-14(19)17-12-13(11-16)18-9-7-5-4-6-8-10-18/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate?
tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-(azocan-1-yl)propyl]carbamate is sourced from PubChem (CID 102729511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).