N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate

C15H32N2O2 — CID 158116077

IUPACN-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
SMILESC=CCOC(=O)NCCCCC.CCCCCNC
InChIInChI=1S/C9H17NO2.C6H15N/c1-3-5-6-7-10-9(11)12-8-4-2;1-3-4-5-6-7-2/h4H,2-3,5-8H2,1H3,(H,10,11);7H,3-6H2,1-2H3
InChIKeyFRABXJXZMZEADC-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.48
Rot. Bonds10

About N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate

N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate (PubChem CID 158116077) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate.

Molecular Properties

Compound NameN-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
PubChem CID158116077
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
SMILESC=CCOC(=O)NCCCCC.CCCCCNC
InChIInChI=1S/C9H17NO2.C6H15N/c1-3-5-6-7-10-9(11)12-8-4-2;1-3-4-5-6-7-2/h4H,2-3,5-8H2,1H3,(H,10,11);7H,3-6H2,1-2H3
InChIKeyFRABXJXZMZEADC-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
6-(prop-2-enoxycarbonylamino)hexanoic acid
CID 60675511
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
prop-2-enyl 2-(octoxycarbonylamino)-6-[4-[[5-(octoxycarbonylamino)-6-oxo-6-prop-2-enoxyhexyl]carbamoyloxy]butoxycarbonylamino]hexanoate
CID 58225453
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805

Frequently Asked Questions

What is the IUPAC name of N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate?
The IUPAC name of N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate (CID 158116077) is N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate.
What is the SMILES notation for N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate?
The canonical SMILES for N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate is C=CCOC(=O)NCCCCC.CCCCCNC.
What is the InChIKey of N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate?
The InChIKey is FRABXJXZMZEADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C6H15N/c1-3-5-6-7-10-9(11)12-8-4-2;1-3-4-5-6-7-2/h4H,2-3,5-8H2,1H3,(H,10,11);7H,3-6H2,1-2H3.
What are the key properties of N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate?
N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate has a molecular weight of 272.43 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate is sourced from PubChem (CID 158116077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).