(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine

C9H19N — CID 124508954

IUPAC(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@](C)(N)C[C@@H]1C
InChIInChI=1S/C9H19N/c1-7-4-5-9(3,10)6-8(7)2/h7-8H,4-6,10H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyHGDFNGRUNLMHEO-VGMNWLOBSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds

About (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine

(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine (PubChem CID 124508954) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
PubChem CID124508954
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@](C)(N)C[C@@H]1C
InChIInChI=1S/C9H19N/c1-7-4-5-9(3,10)6-8(7)2/h7-8H,4-6,10H2,1-3H3/t7-,8+,9+/m1/s1
InChIKeyHGDFNGRUNLMHEO-VGMNWLOBSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64733574
ethane;1,3,4-trimethyl-1-propan-2-ylcyclohexane
CID 177218946
1-amino-3,4-dimethylcyclohexane-1-carbonitrile
CID 64745262
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
(1R,3R,4R)-1,4-dimethylcyclopentane-1,3-diamine
CID 124747898
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
(1S,2R,4R)-4-amino-2,4-dimethylcyclopentan-1-ol
CID 99995754
(2,2,6,7-tetramethylspiro[2.5]octan-1-yl)methanamine
CID 130488637
1,4-dimethylcycloheptan-1-amine
CID 65080006
1-(1,3,4-trimethylcyclohexyl)pyrrolidine
CID 68655889
1-[(1R,3S,4R)-1,3,4-trimethylcyclohexyl]pyrrolidine
CID 66694576
1-ethyl-3,4-dimethyl-1-propan-2-ylcyclohexane
CID 91374055

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine?
The IUPAC name of (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine (CID 124508954) is (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine?
The canonical SMILES for (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine is C[C@@H]1CC[C@](C)(N)C[C@@H]1C.
What is the InChIKey of (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine?
The InChIKey is HGDFNGRUNLMHEO-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H19N/c1-7-4-5-9(3,10)6-8(7)2/h7-8H,4-6,10H2,1-3H3/t7-,8+,9+/m1/s1.
What are the key properties of (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine?
(1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-1,3,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 124508954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).