N,N,4-trimethylnonan-3-amine

C12H27N — CID 123453361

IUPACN,N,4-trimethylnonan-3-amine
SMILESCCCCCC(C)C(CC)N(C)C
InChIInChI=1S/C12H27N/c1-6-8-9-10-11(3)12(7-2)13(4)5/h11-12H,6-10H2,1-5H3
InChIKeyZVFOXVCOGLMJHI-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds7

About N,N,4-trimethylnonan-3-amine

N,N,4-trimethylnonan-3-amine (PubChem CID 123453361) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,N,4-trimethylnonan-3-amine.

Molecular Properties

Compound NameN,N,4-trimethylnonan-3-amine
PubChem CID123453361
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,N,4-trimethylnonan-3-amine
SMILESCCCCCC(C)C(CC)N(C)C
InChIInChI=1S/C12H27N/c1-6-8-9-10-11(3)12(7-2)13(4)5/h11-12H,6-10H2,1-5H3
InChIKeyZVFOXVCOGLMJHI-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
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

3,4-dimethyldecane;ethane
CID 170980289
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
11,12-dimethyltricosane
CID 173430605
8,9-dimethylhexacosane
CID 160651612
3,4,5-trimethyltridecane
CID 21201053
3-(dimethylamino)decan-2-ol
CID 87744632
3-[4-(dimethylamino)tetradecan-3-yloxy]-N,N-dimethyltetradecan-4-amine
CID 87698187
3-[4-(dimethylamino)decan-3-yloxy]-N,N-dimethyldecan-4-amine
CID 87698192
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
3,5-dimethyl-4-propan-2-ylundecane
CID 123891253

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylnonan-3-amine?
The IUPAC name of N,N,4-trimethylnonan-3-amine (CID 123453361) is N,N,4-trimethylnonan-3-amine.
What is the SMILES notation for N,N,4-trimethylnonan-3-amine?
The canonical SMILES for N,N,4-trimethylnonan-3-amine is CCCCCC(C)C(CC)N(C)C.
What is the InChIKey of N,N,4-trimethylnonan-3-amine?
The InChIKey is ZVFOXVCOGLMJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-8-9-10-11(3)12(7-2)13(4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N,N,4-trimethylnonan-3-amine?
N,N,4-trimethylnonan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylnonan-3-amine is sourced from PubChem (CID 123453361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).