3-methyl-N-propan-2-ylnonan-1-amine

C13H29N — CID 81019995

IUPAC3-methyl-N-propan-2-ylnonan-1-amine
SMILESCCCCCCC(C)CCNC(C)C
InChIInChI=1S/C13H29N/c1-5-6-7-8-9-13(4)10-11-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyOQCISBFZUHHXED-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About 3-methyl-N-propan-2-ylnonan-1-amine

3-methyl-N-propan-2-ylnonan-1-amine (PubChem CID 81019995) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylnonan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylnonan-1-amine
PubChem CID81019995
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3-methyl-N-propan-2-ylnonan-1-amine
SMILESCCCCCCC(C)CCNC(C)C
InChIInChI=1S/C13H29N/c1-5-6-7-8-9-13(4)10-11-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyOQCISBFZUHHXED-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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

1-N-propan-2-yldodecane-1,3-diamine
CID 175283209
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-ylnonan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-ylnonan-1-amine (CID 81019995) is 3-methyl-N-propan-2-ylnonan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-ylnonan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-ylnonan-1-amine is CCCCCCC(C)CCNC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-ylnonan-1-amine?
The InChIKey is OQCISBFZUHHXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-6-7-8-9-13(4)10-11-14-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-ylnonan-1-amine?
3-methyl-N-propan-2-ylnonan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylnonan-1-amine is sourced from PubChem (CID 81019995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).