(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate

C15H24N2O2 — CID 90058854

IUPAC(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate
SMILESCC(C)c1cccc(COC(=O)NCCCCN)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)14-7-5-6-13(10-14)11-19-15(18)17-9-4-3-8-16/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyHGUFDCMEZFIFSY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.78
Rot. Bonds7

About (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate

(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate (PubChem CID 90058854) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate.

Molecular Properties

Compound Name(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate
PubChem CID90058854
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate
SMILESCC(C)c1cccc(COC(=O)NCCCCN)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)14-7-5-6-13(10-14)11-19-15(18)17-9-4-3-8-16/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3,(H,17,18)
InChIKeyHGUFDCMEZFIFSY-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.78
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

2-[(3-propan-2-ylphenyl)methoxycarbonylamino]ethanesulfonic acid
CID 90058831
benzyl N-[4-(4-aminobutylamino)butyl]carbamate
CID 155065832
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
benzyl N-(3-aminopropyl)carbamate;hydron;chloride
CID 44828785
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(6-methylheptyl)carbamate
CID 59918495
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
1-(hydroperoxymethyl)-3-propan-2-ylbenzene
CID 86217956
benzyl N-[2-(benzhydrylamino)ethyl]carbamate
CID 139788577

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate?
The IUPAC name of (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate (CID 90058854) is (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate.
What is the SMILES notation for (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate?
The canonical SMILES for (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate is CC(C)c1cccc(COC(=O)NCCCCN)c1.
What is the InChIKey of (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate?
The InChIKey is HGUFDCMEZFIFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)14-7-5-6-13(10-14)11-19-15(18)17-9-4-3-8-16/h5-7,10,12H,3-4,8-9,11,16H2,1-2H3,(H,17,18).
What are the key properties of (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate?
(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate is sourced from PubChem (CID 90058854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).