(4R)-N,3,3-trimethylnonan-4-amine

C12H27N — CID 126620511

IUPAC(4R)-N,3,3-trimethylnonan-4-amine
SMILESCCCCC[C@@H](NC)C(C)(C)CC
InChIInChI=1S/C12H27N/c1-6-8-9-10-11(13-5)12(3,4)7-2/h11,13H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyWJPYGZQHSLNPMQ-LLVKDONJSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds7

About (4R)-N,3,3-trimethylnonan-4-amine

(4R)-N,3,3-trimethylnonan-4-amine (PubChem CID 126620511) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (4R)-N,3,3-trimethylnonan-4-amine.

Molecular Properties

Compound Name(4R)-N,3,3-trimethylnonan-4-amine
PubChem CID126620511
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(4R)-N,3,3-trimethylnonan-4-amine
SMILESCCCCC[C@@H](NC)C(C)(C)CC
InChIInChI=1S/C12H27N/c1-6-8-9-10-11(13-5)12(3,4)7-2/h11,13H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyWJPYGZQHSLNPMQ-LLVKDONJSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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-trimethylhexadecan-4-amine
CID 115846506
3,3-dimethylundecan-4-ylhydrazine
CID 105293669
3,3-dimethylhexadecan-4-ylhydrazine
CID 105298722
N,3,3-trimethylnon-8-yn-4-amine
CID 105033729
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
3-methoxy-N,3-dimethylundecan-4-amine
CID 116757603
2-N,2-N-diethyl-3-N,2-dimethylnonane-2,3-diamine
CID 79052771
2-N,2-N-diethyl-3-N,2-dimethyldecane-2,3-diamine
CID 79052772
2-N,2-N-diethyl-3-N,2-dimethyldodecane-2,3-diamine
CID 79053578
N,3,3-trimethyloct-7-en-4-amine
CID 104987331
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
CID 79059306
3,3,4,5-tetramethyldodecane
CID 175562493

Frequently Asked Questions

What is the IUPAC name of (4R)-N,3,3-trimethylnonan-4-amine?
The IUPAC name of (4R)-N,3,3-trimethylnonan-4-amine (CID 126620511) is (4R)-N,3,3-trimethylnonan-4-amine.
What is the SMILES notation for (4R)-N,3,3-trimethylnonan-4-amine?
The canonical SMILES for (4R)-N,3,3-trimethylnonan-4-amine is CCCCC[C@@H](NC)C(C)(C)CC.
What is the InChIKey of (4R)-N,3,3-trimethylnonan-4-amine?
The InChIKey is WJPYGZQHSLNPMQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H27N/c1-6-8-9-10-11(13-5)12(3,4)7-2/h11,13H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (4R)-N,3,3-trimethylnonan-4-amine?
(4R)-N,3,3-trimethylnonan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,3,3-trimethylnonan-4-amine is sourced from PubChem (CID 126620511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).