5-methyl-N-propylnonan-1-amine

C13H29N — CID 123719528

IUPAC5-methyl-N-propylnonan-1-amine
SMILESCCCCC(C)CCCCNCCC
InChIInChI=1S/C13H29N/c1-4-6-9-13(3)10-7-8-12-14-11-5-2/h13-14H,4-12H2,1-3H3
InChIKeyXXBMGJBVHIQKEG-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds10

About 5-methyl-N-propylnonan-1-amine

5-methyl-N-propylnonan-1-amine (PubChem CID 123719528) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 5-methyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name5-methyl-N-propylnonan-1-amine
PubChem CID123719528
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name5-methyl-N-propylnonan-1-amine
SMILESCCCCC(C)CCCCNCCC
InChIInChI=1S/C13H29N/c1-4-6-9-13(3)10-7-8-12-14-11-5-2/h13-14H,4-12H2,1-3H3
InChIKeyXXBMGJBVHIQKEG-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-propyltridecan-1-amine
CID 123278261
5-ethyl-N-propylnonan-1-amine
CID 64504205
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
2-(4-methylnonylamino)ethanethiol
CID 166797249
1-N-propylnonane-1,8-diamine
CID 87246434
3,5-dimethyl-N-octadecyloctadecan-1-amine;hydrochloride
CID 173330478
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384
5,13,19-trimethylheptatriacontane
CID 172565409
5,17-dimethylnonacosane
CID 56936184

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propylnonan-1-amine?
The IUPAC name of 5-methyl-N-propylnonan-1-amine (CID 123719528) is 5-methyl-N-propylnonan-1-amine.
What is the SMILES notation for 5-methyl-N-propylnonan-1-amine?
The canonical SMILES for 5-methyl-N-propylnonan-1-amine is CCCCC(C)CCCCNCCC.
What is the InChIKey of 5-methyl-N-propylnonan-1-amine?
The InChIKey is XXBMGJBVHIQKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-4-6-9-13(3)10-7-8-12-14-11-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 5-methyl-N-propylnonan-1-amine?
5-methyl-N-propylnonan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propylnonan-1-amine is sourced from PubChem (CID 123719528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).