butyl N-(1-amino-3-methylbutan-2-yl)carbamate

C10H22N2O2 — CID 151488236

IUPACbutyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCCCCOC(=O)NC(CN)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-6-14-10(13)12-9(7-11)8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyPNXJRVNGIMJDAD-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.50
Rot. Bonds6

About butyl N-(1-amino-3-methylbutan-2-yl)carbamate

butyl N-(1-amino-3-methylbutan-2-yl)carbamate (PubChem CID 151488236) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is butyl N-(1-amino-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-amino-3-methylbutan-2-yl)carbamate
PubChem CID151488236
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namebutyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCCCCOC(=O)NC(CN)C(C)C
InChIInChI=1S/C10H22N2O2/c1-4-5-6-14-10(13)12-9(7-11)8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyPNXJRVNGIMJDAD-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.50
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

ethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 62314871
butyl N-(1-aminoethyl)carbamate
CID 87930052
butyl N-(1-iodopropan-2-yl)carbamate
CID 54517423
hexyl (2S)-2-(butoxycarbonylamino)-3-methylbutanoate
CID 20837340
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
methyl (2R)-2-(butoxycarbonylamino)butanoate
CID 137445344
propan-2-yl (3S)-2-(butoxycarbonylamino)-3-hydroxybutanoate
CID 87984973
3-methyl-2-(tetradecoxycarbonylamino)butanoic acid
CID 18699362
butyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 163133686
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
butyl (2S)-2-(methoxycarbonylamino)-3-methylbutanoate
CID 131967474
methyl 2-(butoxycarbonylamino)-3-hydroxypropanoate
CID 87374830

Frequently Asked Questions

What is the IUPAC name of butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The IUPAC name of butyl N-(1-amino-3-methylbutan-2-yl)carbamate (CID 151488236) is butyl N-(1-amino-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The canonical SMILES for butyl N-(1-amino-3-methylbutan-2-yl)carbamate is CCCCOC(=O)NC(CN)C(C)C.
What is the InChIKey of butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The InChIKey is PNXJRVNGIMJDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-5-6-14-10(13)12-9(7-11)8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of butyl N-(1-amino-3-methylbutan-2-yl)carbamate?
butyl N-(1-amino-3-methylbutan-2-yl)carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-amino-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 151488236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).