(5R)-5,6,6-trimethylnonan-3-amine

C12H27N — CID 88967140

IUPAC(5R)-5,6,6-trimethylnonan-3-amine
SMILESCCCC(C)(C)[C@H](C)CC(N)CC
InChIInChI=1S/C12H27N/c1-6-8-12(4,5)10(3)9-11(13)7-2/h10-11H,6-9,13H2,1-5H3/t10-,11?/m1/s1
InChIKeyRITJXCJGZAEUAG-NFJWQWPMSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds6

About (5R)-5,6,6-trimethylnonan-3-amine

(5R)-5,6,6-trimethylnonan-3-amine (PubChem CID 88967140) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (5R)-5,6,6-trimethylnonan-3-amine.

Molecular Properties

Compound Name(5R)-5,6,6-trimethylnonan-3-amine
PubChem CID88967140
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(5R)-5,6,6-trimethylnonan-3-amine
SMILESCCCC(C)(C)[C@H](C)CC(N)CC
InChIInChI=1S/C12H27N/c1-6-8-12(4,5)10(3)9-11(13)7-2/h10-11H,6-9,13H2,1-5H3/t10-,11?/m1/s1
InChIKeyRITJXCJGZAEUAG-NFJWQWPMSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5,6,6-trimethylnonan-3-amine?
The IUPAC name of (5R)-5,6,6-trimethylnonan-3-amine (CID 88967140) is (5R)-5,6,6-trimethylnonan-3-amine.
What is the SMILES notation for (5R)-5,6,6-trimethylnonan-3-amine?
The canonical SMILES for (5R)-5,6,6-trimethylnonan-3-amine is CCCC(C)(C)[C@H](C)CC(N)CC.
What is the InChIKey of (5R)-5,6,6-trimethylnonan-3-amine?
The InChIKey is RITJXCJGZAEUAG-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H27N/c1-6-8-12(4,5)10(3)9-11(13)7-2/h10-11H,6-9,13H2,1-5H3/t10-,11?/m1/s1.
What are the key properties of (5R)-5,6,6-trimethylnonan-3-amine?
(5R)-5,6,6-trimethylnonan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5,6,6-trimethylnonan-3-amine is sourced from PubChem (CID 88967140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).