N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine

C20H43N — CID 154429867

IUPACN-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
SMILESCCCCCCCCCCN(CC)C(C)(CCC)CCC
InChIInChI=1S/C20H43N/c1-6-10-11-12-13-14-15-16-19-21(9-4)20(5,17-7-2)18-8-3/h6-19H2,1-5H3
InChIKeyFHZYLIUNZVBWLN-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.81
Rot. Bonds15

About N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine

N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine (PubChem CID 154429867) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
PubChem CID154429867
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC NameN-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
SMILESCCCCCCCCCCN(CC)C(C)(CCC)CCC
InChIInChI=1S/C20H43N/c1-6-10-11-12-13-14-15-16-19-21(9-4)20(5,17-7-2)18-8-3/h6-19H2,1-5H3
InChIKeyFHZYLIUNZVBWLN-UHFFFAOYSA-N
XLogP6.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.81
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

9-methyl-N,N-dioctyloctadecan-9-amine;hydrochloride
CID 175484802
N-(2-methylpentan-2-yl)-N-tridecyltridecan-1-amine
CID 139722947
N-(2-methylpentan-2-yl)-N-nonylnonan-1-amine
CID 139723287
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634
N-dodecyl-N-(2-methyldecan-2-yl)dodecan-1-amine
CID 139723218
2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044
N,N-diheptyl-2-methylhexadecan-2-amine
CID 139723991
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
CID 139722528
2-methyl-N,N-dipentyldodecan-2-amine
CID 139723912
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine?
The IUPAC name of N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine (CID 154429867) is N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine.
What is the SMILES notation for N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine?
The canonical SMILES for N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine is CCCCCCCCCCN(CC)C(C)(CCC)CCC.
What is the InChIKey of N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine?
The InChIKey is FHZYLIUNZVBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-6-10-11-12-13-14-15-16-19-21(9-4)20(5,17-7-2)18-8-3/h6-19H2,1-5H3.
What are the key properties of N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine?
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.81, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine is sourced from PubChem (CID 154429867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).