2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine

C22H49N — CID 160564373

IUPAC2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine
SMILESCCC(C)C(C)C.CCCCCCCCCCN(CC)CCC
InChIInChI=1S/C15H33N.C7H16/c1-4-7-8-9-10-11-12-13-15-16(6-3)14-5-2;1-5-7(4)6(2)3/h4-15H2,1-3H3;6-7H,5H2,1-4H3
InChIKeyQZSPTARCLWMHPT-UHFFFAOYSA-N
MW327.64 g/mol
LogP7.55
Rot. Bonds14

About 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine

2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine (PubChem CID 160564373) has the molecular formula C22H49N and a molecular weight of 327.64 g/mol. Its IUPAC name is 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine.

Molecular Properties

Compound Name2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine
PubChem CID160564373
Molecular FormulaC22H49N
Molecular Weight327.64 g/mol
Exact Mass327.39
IUPAC Name2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine
SMILESCCC(C)C(C)C.CCCCCCCCCCN(CC)CCC
InChIInChI=1S/C15H33N.C7H16/c1-4-7-8-9-10-11-12-13-15-16(6-3)14-5-2;1-5-7(4)6(2)3/h4-15H2,1-3H3;6-7H,5H2,1-4H3
InChIKeyQZSPTARCLWMHPT-UHFFFAOYSA-N
XLogP7.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.64
LogP ≤ 57.55
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

N-ethyl-N-propyldecan-1-amine
CID 56933807
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
N-ethyl-N-(2-methoxyethyl)decan-1-amine
CID 150451072
N-ethyl-4-methyl-N-propylhexan-1-amine
CID 142891130
3-methyl-1-N,1-N-dioctylpentane-1,2-diamine
CID 75306915
N'-dodecyl-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 63528013

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine?
The IUPAC name of 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine (CID 160564373) is 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine.
What is the SMILES notation for 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine?
The canonical SMILES for 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine is CCC(C)C(C)C.CCCCCCCCCCN(CC)CCC.
What is the InChIKey of 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine?
The InChIKey is QZSPTARCLWMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N.C7H16/c1-4-7-8-9-10-11-12-13-15-16(6-3)14-5-2;1-5-7(4)6(2)3/h4-15H2,1-3H3;6-7H,5H2,1-4H3.
What are the key properties of 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine?
2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine has a molecular weight of 327.64 g/mol, XLogP of 7.55, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine is sourced from PubChem (CID 160564373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).