2,4-dimethylnonan-1-amine

C11H25N — CID 123882027

IUPAC2,4-dimethylnonan-1-amine
SMILESCCCCCC(C)CC(C)CN
InChIInChI=1S/C11H25N/c1-4-5-6-7-10(2)8-11(3)9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyMWAPVHLRQGTABC-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds7

About 2,4-dimethylnonan-1-amine

2,4-dimethylnonan-1-amine (PubChem CID 123882027) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,4-dimethylnonan-1-amine.

Molecular Properties

Compound Name2,4-dimethylnonan-1-amine
PubChem CID123882027
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,4-dimethylnonan-1-amine
SMILESCCCCCC(C)CC(C)CN
InChIInChI=1S/C11H25N/c1-4-5-6-7-10(2)8-11(3)9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyMWAPVHLRQGTABC-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.19
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

2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469
6,8-dimethylhexadecane
CID 91185725
(4R,6S)-4,6-dimethyldodecane
CID 162976966
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
4-ethyl-2-methyloctadecan-1-amine
CID 139984402
2,24,26-trimethyldotetracontane
CID 91249721
3,5-dimethylpentacosane
CID 86177199
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
2,4-dimethyltetradecane
CID 53423723

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylnonan-1-amine?
The IUPAC name of 2,4-dimethylnonan-1-amine (CID 123882027) is 2,4-dimethylnonan-1-amine.
What is the SMILES notation for 2,4-dimethylnonan-1-amine?
The canonical SMILES for 2,4-dimethylnonan-1-amine is CCCCCC(C)CC(C)CN.
What is the InChIKey of 2,4-dimethylnonan-1-amine?
The InChIKey is MWAPVHLRQGTABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-4-5-6-7-10(2)8-11(3)9-12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2,4-dimethylnonan-1-amine?
2,4-dimethylnonan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylnonan-1-amine is sourced from PubChem (CID 123882027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).