N,N-dimethyl-6-pentylundecan-6-amine

C18H39N — CID 170848103

IUPACN,N-dimethyl-6-pentylundecan-6-amine
SMILESCCCCCC(CCCCC)(CCCCC)N(C)C
InChIInChI=1S/C18H39N/c1-6-9-12-15-18(19(4)5,16-13-10-7-2)17-14-11-8-3/h6-17H2,1-5H3
InChIKeyHBAHADNZKIHJKG-UHFFFAOYSA-N
MW269.52 g/mol
LogP6.03
Rot. Bonds13

About N,N-dimethyl-6-pentylundecan-6-amine

N,N-dimethyl-6-pentylundecan-6-amine (PubChem CID 170848103) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N,N-dimethyl-6-pentylundecan-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-pentylundecan-6-amine
PubChem CID170848103
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN,N-dimethyl-6-pentylundecan-6-amine
SMILESCCCCCC(CCCCC)(CCCCC)N(C)C
InChIInChI=1S/C18H39N/c1-6-9-12-15-18(19(4)5,16-13-10-7-2)17-14-11-8-3/h6-17H2,1-5H3
InChIKeyHBAHADNZKIHJKG-UHFFFAOYSA-N
XLogP6.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 175528933
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
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CID 57269512
21-nonyl-N,N-dipropylhentetracontan-21-amine
CID 155011902
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
1,1-dichloro-N,N-dimethyloctan-1-amine
CID 175456302
2-(dimethylamino)-2-octadecylicosanoic acid
CID 141120188
N,N,3-triethyldodecan-3-amine
CID 150961559
hexane;molybdenum
CID 162092649
2-(dimethylamino)-2-methyltetradecanoic acid
CID 11565995
6,6-dipentylundecane
CID 19690398
N,N-dimethylmethanamine;tridecane
CID 174432259

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-pentylundecan-6-amine?
The IUPAC name of N,N-dimethyl-6-pentylundecan-6-amine (CID 170848103) is N,N-dimethyl-6-pentylundecan-6-amine.
What is the SMILES notation for N,N-dimethyl-6-pentylundecan-6-amine?
The canonical SMILES for N,N-dimethyl-6-pentylundecan-6-amine is CCCCCC(CCCCC)(CCCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-6-pentylundecan-6-amine?
The InChIKey is HBAHADNZKIHJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-6-9-12-15-18(19(4)5,16-13-10-7-2)17-14-11-8-3/h6-17H2,1-5H3.
What are the key properties of N,N-dimethyl-6-pentylundecan-6-amine?
N,N-dimethyl-6-pentylundecan-6-amine has a molecular weight of 269.52 g/mol, XLogP of 6.03, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-pentylundecan-6-amine is sourced from PubChem (CID 170848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).