(3S,7R)-2,3,7-trimethylnonan-4-amine

C12H27N — CID 174014223

IUPAC(3S,7R)-2,3,7-trimethylnonan-4-amine
SMILESCC[C@@H](C)CCC(N)[C@@H](C)C(C)C
InChIInChI=1S/C12H27N/c1-6-10(4)7-8-12(13)11(5)9(2)3/h9-12H,6-8,13H2,1-5H3/t10-,11+,12?/m1/s1
InChIKeyTURZMWJPZPWPOL-UBNQGINQSA-N
MW185.35 g/mol
LogP3.43
Rot. Bonds6

About (3S,7R)-2,3,7-trimethylnonan-4-amine

(3S,7R)-2,3,7-trimethylnonan-4-amine (PubChem CID 174014223) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (3S,7R)-2,3,7-trimethylnonan-4-amine.

Molecular Properties

Compound Name(3S,7R)-2,3,7-trimethylnonan-4-amine
PubChem CID174014223
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(3S,7R)-2,3,7-trimethylnonan-4-amine
SMILESCC[C@@H](C)CCC(N)[C@@H](C)C(C)C
InChIInChI=1S/C12H27N/c1-6-10(4)7-8-12(13)11(5)9(2)3/h9-12H,6-8,13H2,1-5H3/t10-,11+,12?/m1/s1
InChIKeyTURZMWJPZPWPOL-UBNQGINQSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,7-trimethyloctan-4-amine
CID 115834649
5-methylheptan-2-amine;hydrochloride
CID 127255592
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methylheptane;nickel
CID 158967838
2,2,7-trimethylnonan-3-amine
CID 64503004
2,3,9-trimethylundecane
CID 57491510
4-ethenyl-2,3,7-trimethylnonane
CID 91411047
(3R,6S)-3,6-dimethyldecane
CID 170848353
1-amino-2,5-dimethylheptan-1-ol
CID 123488393
(3R,6R)-3,6-dimethylnonane
CID 170848352
2,5-dimethylheptane;propane
CID 145235091
ethane;3,6,7,10-tetramethyldodecane
CID 143901344

Frequently Asked Questions

What is the IUPAC name of (3S,7R)-2,3,7-trimethylnonan-4-amine?
The IUPAC name of (3S,7R)-2,3,7-trimethylnonan-4-amine (CID 174014223) is (3S,7R)-2,3,7-trimethylnonan-4-amine.
What is the SMILES notation for (3S,7R)-2,3,7-trimethylnonan-4-amine?
The canonical SMILES for (3S,7R)-2,3,7-trimethylnonan-4-amine is CC[C@@H](C)CCC(N)[C@@H](C)C(C)C.
What is the InChIKey of (3S,7R)-2,3,7-trimethylnonan-4-amine?
The InChIKey is TURZMWJPZPWPOL-UBNQGINQSA-N. The full InChI is InChI=1S/C12H27N/c1-6-10(4)7-8-12(13)11(5)9(2)3/h9-12H,6-8,13H2,1-5H3/t10-,11+,12?/m1/s1.
What are the key properties of (3S,7R)-2,3,7-trimethylnonan-4-amine?
(3S,7R)-2,3,7-trimethylnonan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7R)-2,3,7-trimethylnonan-4-amine is sourced from PubChem (CID 174014223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).