4-methylnonane;N-methyl-N-propylpentan-1-amine

C19H43N — CID 142379578

IUPAC4-methylnonane;N-methyl-N-propylpentan-1-amine
SMILESCCCCCC(C)CCC.CCCCCN(C)CCC
InChIInChI=1S/C10H22.C9H21N/c2*1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3;4-9H2,1-3H3
InChIKeyDULLTIALHISQCB-UHFFFAOYSA-N
MW285.56 g/mol
LogP6.52
Rot. Bonds12

About 4-methylnonane;N-methyl-N-propylpentan-1-amine

4-methylnonane;N-methyl-N-propylpentan-1-amine (PubChem CID 142379578) has the molecular formula C19H43N and a molecular weight of 285.56 g/mol. Its IUPAC name is 4-methylnonane;N-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methylnonane;N-methyl-N-propylpentan-1-amine
PubChem CID142379578
Molecular FormulaC19H43N
Molecular Weight285.56 g/mol
Exact Mass285.34
IUPAC Name4-methylnonane;N-methyl-N-propylpentan-1-amine
SMILESCCCCCC(C)CCC.CCCCCN(C)CCC
InChIInChI=1S/C10H22.C9H21N/c2*1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3;4-9H2,1-3H3
InChIKeyDULLTIALHISQCB-UHFFFAOYSA-N
XLogP6.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.56
LogP ≤ 56.52
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,7-dimethyl-N-propylnonan-1-amine
CID 174179101
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
4,10-dimethyltriacontane
CID 6430425
(4R)-4-methyldecane
CID 57191620
N-methyl-N-propyldecan-1-amine
CID 13122225
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4-methyltritriacontane
CID 71346224
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
ethene;9-methylheptadecane;N-methyl-8-methylidene-N-octyloctadecan-1-amine
CID 142431893

Frequently Asked Questions

What is the IUPAC name of 4-methylnonane;N-methyl-N-propylpentan-1-amine?
The IUPAC name of 4-methylnonane;N-methyl-N-propylpentan-1-amine (CID 142379578) is 4-methylnonane;N-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 4-methylnonane;N-methyl-N-propylpentan-1-amine?
The canonical SMILES for 4-methylnonane;N-methyl-N-propylpentan-1-amine is CCCCCC(C)CCC.CCCCCN(C)CCC.
What is the InChIKey of 4-methylnonane;N-methyl-N-propylpentan-1-amine?
The InChIKey is DULLTIALHISQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H21N/c2*1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3;4-9H2,1-3H3.
What are the key properties of 4-methylnonane;N-methyl-N-propylpentan-1-amine?
4-methylnonane;N-methyl-N-propylpentan-1-amine has a molecular weight of 285.56 g/mol, XLogP of 6.52, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnonane;N-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 142379578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).