N,2-dimethyl-N-prop-2-enyltridecan-2-amine

C18H37N — CID 174634472

IUPACN,2-dimethyl-N-prop-2-enyltridecan-2-amine
SMILESC=CCN(C)C(C)(C)CCCCCCCCCCC
InChIInChI=1S/C18H37N/c1-6-8-9-10-11-12-13-14-15-16-18(3,4)19(5)17-7-2/h7H,2,6,8-17H2,1,3-5H3
InChIKeyBKBQHLYZZFNSSN-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.80
Rot. Bonds13

About N,2-dimethyl-N-prop-2-enyltridecan-2-amine

N,2-dimethyl-N-prop-2-enyltridecan-2-amine (PubChem CID 174634472) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N,2-dimethyl-N-prop-2-enyltridecan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-prop-2-enyltridecan-2-amine
PubChem CID174634472
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN,2-dimethyl-N-prop-2-enyltridecan-2-amine
SMILESC=CCN(C)C(C)(C)CCCCCCCCCCC
InChIInChI=1S/C18H37N/c1-6-8-9-10-11-12-13-14-15-16-18(3,4)19(5)17-7-2/h7H,2,6,8-17H2,1,3-5H3
InChIKeyBKBQHLYZZFNSSN-UHFFFAOYSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
N,N-dimethylprop-2-en-1-amine;octadecane;hydrochloride
CID 174528085
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
2-[methyl(2-methylheptan-2-yl)amino]ethyl prop-2-enoate
CID 89177334
N-methyl-N-(2-methylnonan-2-yl)hydroxylamine
CID 159576424
N-ethyl-N,2-dimethylhexan-2-amine
CID 87916195
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
CID 139723254
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-prop-2-enyltridecan-2-amine?
The IUPAC name of N,2-dimethyl-N-prop-2-enyltridecan-2-amine (CID 174634472) is N,2-dimethyl-N-prop-2-enyltridecan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-prop-2-enyltridecan-2-amine?
The canonical SMILES for N,2-dimethyl-N-prop-2-enyltridecan-2-amine is C=CCN(C)C(C)(C)CCCCCCCCCCC.
What is the InChIKey of N,2-dimethyl-N-prop-2-enyltridecan-2-amine?
The InChIKey is BKBQHLYZZFNSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-8-9-10-11-12-13-14-15-16-18(3,4)19(5)17-7-2/h7H,2,6,8-17H2,1,3-5H3.
What are the key properties of N,2-dimethyl-N-prop-2-enyltridecan-2-amine?
N,2-dimethyl-N-prop-2-enyltridecan-2-amine has a molecular weight of 267.50 g/mol, XLogP of 5.80, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-prop-2-enyltridecan-2-amine is sourced from PubChem (CID 174634472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).