N-(2-methylprop-1-enyl)dodecan-1-amine

C16H33N — CID 88695938

IUPACN-(2-methylprop-1-enyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNC=C(C)C
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h15,17H,4-14H2,1-3H3
InChIKeyWVPKTLLJRFDYSP-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.42
Rot. Bonds12

About N-(2-methylprop-1-enyl)dodecan-1-amine

N-(2-methylprop-1-enyl)dodecan-1-amine (PubChem CID 88695938) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)dodecan-1-amine
PubChem CID88695938
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(2-methylprop-1-enyl)dodecan-1-amine
SMILESCCCCCCCCCCCCNC=C(C)C
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h15,17H,4-14H2,1-3H3
InChIKeyWVPKTLLJRFDYSP-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773
N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
CID 166834532
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-ethenyltetradecan-1-amine
CID 175788828
(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
CID 155225855
N-(3-methylbut-2-enyl)decan-1-amine
CID 107900086
ethane;N-pentylformamide
CID 145350301
N-ethenylpentan-1-amine
CID 87131661
diethyl 2-[(pentylamino)methylidene]propanedioate
CID 87770755

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)dodecan-1-amine?
The IUPAC name of N-(2-methylprop-1-enyl)dodecan-1-amine (CID 88695938) is N-(2-methylprop-1-enyl)dodecan-1-amine.
What is the SMILES notation for N-(2-methylprop-1-enyl)dodecan-1-amine?
The canonical SMILES for N-(2-methylprop-1-enyl)dodecan-1-amine is CCCCCCCCCCCCNC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)dodecan-1-amine?
The InChIKey is WVPKTLLJRFDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-6-7-8-9-10-11-12-13-14-17-15-16(2)3/h15,17H,4-14H2,1-3H3.
What are the key properties of N-(2-methylprop-1-enyl)dodecan-1-amine?
N-(2-methylprop-1-enyl)dodecan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)dodecan-1-amine is sourced from PubChem (CID 88695938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).