butyl N-(1-aminoethyl)carbamate

C7H16N2O2 — CID 87930052

IUPACbutyl N-(1-aminoethyl)carbamate
SMILESCCCCOC(=O)NC(C)N
InChIInChI=1S/C7H16N2O2/c1-3-4-5-11-7(10)9-6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyZDCLLJCFAGIBPM-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.82
Rot. Bonds4

About butyl N-(1-aminoethyl)carbamate

butyl N-(1-aminoethyl)carbamate (PubChem CID 87930052) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is butyl N-(1-aminoethyl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-aminoethyl)carbamate
PubChem CID87930052
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namebutyl N-(1-aminoethyl)carbamate
SMILESCCCCOC(=O)NC(C)N
InChIInChI=1S/C7H16N2O2/c1-3-4-5-11-7(10)9-6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyZDCLLJCFAGIBPM-UHFFFAOYSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butyl N-(1-iodopropan-2-yl)carbamate
CID 54517423
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
butyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 151488236
methyl (2R)-2-(butoxycarbonylamino)butanoate
CID 137445344
hexyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate
CID 20837340
propan-2-yl (3S)-2-(butoxycarbonylamino)-3-hydroxybutanoate
CID 87984973
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
butyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 163133686
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830
butyl N-(1-phenylethyl)carbamate
CID 571821
butyl N-[(1S)-1-(1-hydroxycyclopentyl)ethyl]carbamate
CID 175766081
butyl N-[1-(4-hydroxyphenyl)ethyl]carbamate
CID 22382006

Frequently Asked Questions

What is the IUPAC name of butyl N-(1-aminoethyl)carbamate?
The IUPAC name of butyl N-(1-aminoethyl)carbamate (CID 87930052) is butyl N-(1-aminoethyl)carbamate.
What is the SMILES notation for butyl N-(1-aminoethyl)carbamate?
The canonical SMILES for butyl N-(1-aminoethyl)carbamate is CCCCOC(=O)NC(C)N.
What is the InChIKey of butyl N-(1-aminoethyl)carbamate?
The InChIKey is ZDCLLJCFAGIBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-4-5-11-7(10)9-6(2)8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of butyl N-(1-aminoethyl)carbamate?
butyl N-(1-aminoethyl)carbamate has a molecular weight of 160.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-aminoethyl)carbamate is sourced from PubChem (CID 87930052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).