N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine

C18H41N3 — CID 150318473

IUPACN-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine
SMILESCCCCCCNN(CCC(C)(C)C)NC(C)CC(C)C
InChIInChI=1S/C18H41N3/c1-8-9-10-11-13-19-21(14-12-18(5,6)7)20-17(4)15-16(2)3/h16-17,19-20H,8-15H2,1-7H3
InChIKeyGNCMETWBHHOKNR-UHFFFAOYSA-N
MW299.55 g/mol
LogP4.75
Rot. Bonds12

About N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine

N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine (PubChem CID 150318473) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine.

Molecular Properties

Compound NameN-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine
PubChem CID150318473
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine
SMILESCCCCCCNN(CCC(C)(C)C)NC(C)CC(C)C
InChIInChI=1S/C18H41N3/c1-8-9-10-11-13-19-21(14-12-18(5,6)7)20-17(4)15-16(2)3/h16-17,19-20H,8-15H2,1-7H3
InChIKeyGNCMETWBHHOKNR-UHFFFAOYSA-N
XLogP4.75
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylhexane;2,4-dimethylpentane;ethane
CID 145269635
pentacontane;2,2,4-trimethylpentane
CID 174882537
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
2,4-dimethylpentane;ethane;heptane
CID 153392396
4-ethyl-2,4-dimethylundecane
CID 22481197
N-(butylamino)-2-methyl-N-(propylamino)propan-1-amine
CID 150003267
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
dichlorozinc;2,2-dimethyloctane
CID 174281549
2,6,8-trimethyl-N-octylnonan-4-amine
CID 170847795

Frequently Asked Questions

What is the IUPAC name of N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine?
The IUPAC name of N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine (CID 150318473) is N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine.
What is the SMILES notation for N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine?
The canonical SMILES for N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine is CCCCCCNN(CCC(C)(C)C)NC(C)CC(C)C.
What is the InChIKey of N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine?
The InChIKey is GNCMETWBHHOKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-8-9-10-11-13-19-21(14-12-18(5,6)7)20-17(4)15-16(2)3/h16-17,19-20H,8-15H2,1-7H3.
What are the key properties of N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine?
N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine has a molecular weight of 299.55 g/mol, XLogP of 4.75, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hexylamino)-3,3-dimethyl-N-(4-methylpentan-2-ylamino)butan-1-amine is sourced from PubChem (CID 150318473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).