N,6,6-trimethylnonan-1-amine

C12H27N — CID 118650446

IUPACN,6,6-trimethylnonan-1-amine
SMILESCCCC(C)(C)CCCCCNC
InChIInChI=1S/C12H27N/c1-5-9-12(2,3)10-7-6-8-11-13-4/h13H,5-11H2,1-4H3
InChIKeyALSWYXOYIQPWIN-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds8

About N,6,6-trimethylnonan-1-amine

N,6,6-trimethylnonan-1-amine (PubChem CID 118650446) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,6,6-trimethylnonan-1-amine.

Molecular Properties

Compound NameN,6,6-trimethylnonan-1-amine
PubChem CID118650446
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,6,6-trimethylnonan-1-amine
SMILESCCCC(C)(C)CCCCCNC
InChIInChI=1S/C12H27N/c1-5-9-12(2,3)10-7-6-8-11-13-4/h13H,5-11H2,1-4H3
InChIKeyALSWYXOYIQPWIN-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
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

N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
N,6,6,10,10,14-hexamethylpentadec-14-en-1-amine
CID 166852744
2,2,7,7-tetramethyldecane
CID 57491596
N-methyltriacontan-1-amine
CID 19840895
16,16,21,21-tetramethylhexatriacontane
CID 174880889
6,6-dimethylnonylphosphane
CID 58051418
N-ethyl-5,5-dimethyldodecan-1-amine
CID 139313220
N,2,2-trimethyloctan-1-amine
CID 62723717
4,4-dimethyl-10-(methylamino)decan-5-one
CID 130267652
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683

Frequently Asked Questions

What is the IUPAC name of N,6,6-trimethylnonan-1-amine?
The IUPAC name of N,6,6-trimethylnonan-1-amine (CID 118650446) is N,6,6-trimethylnonan-1-amine.
What is the SMILES notation for N,6,6-trimethylnonan-1-amine?
The canonical SMILES for N,6,6-trimethylnonan-1-amine is CCCC(C)(C)CCCCCNC.
What is the InChIKey of N,6,6-trimethylnonan-1-amine?
The InChIKey is ALSWYXOYIQPWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-9-12(2,3)10-7-6-8-11-13-4/h13H,5-11H2,1-4H3.
What are the key properties of N,6,6-trimethylnonan-1-amine?
N,6,6-trimethylnonan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,6-trimethylnonan-1-amine is sourced from PubChem (CID 118650446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).