N,3-dimethylnonan-1-amine

C11H25N — CID 81019354

IUPACN,3-dimethylnonan-1-amine
SMILESCCCCCCC(C)CCNC
InChIInChI=1S/C11H25N/c1-4-5-6-7-8-11(2)9-10-12-3/h11-12H,4-10H2,1-3H3
InChIKeyZREIZFMAUIZLSA-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds8

About N,3-dimethylnonan-1-amine

N,3-dimethylnonan-1-amine (PubChem CID 81019354) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N,3-dimethylnonan-1-amine.

Molecular Properties

Compound NameN,3-dimethylnonan-1-amine
PubChem CID81019354
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN,3-dimethylnonan-1-amine
SMILESCCCCCCC(C)CCNC
InChIInChI=1S/C11H25N/c1-4-5-6-7-8-11(2)9-10-12-3/h11-12H,4-10H2,1-3H3
InChIKeyZREIZFMAUIZLSA-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
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

(5R)-N,5-dimethylnonan-1-amine
CID 130290865
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methyloctacosane
CID 22223942
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylnonan-1-amine?
The IUPAC name of N,3-dimethylnonan-1-amine (CID 81019354) is N,3-dimethylnonan-1-amine.
What is the SMILES notation for N,3-dimethylnonan-1-amine?
The canonical SMILES for N,3-dimethylnonan-1-amine is CCCCCCC(C)CCNC.
What is the InChIKey of N,3-dimethylnonan-1-amine?
The InChIKey is ZREIZFMAUIZLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-4-5-6-7-8-11(2)9-10-12-3/h11-12H,4-10H2,1-3H3.
What are the key properties of N,3-dimethylnonan-1-amine?
N,3-dimethylnonan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylnonan-1-amine is sourced from PubChem (CID 81019354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).