cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine

C8H17N — CID 10797095

IUPACcis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CCC[C@@](C)(N)C1
InChIInChI=1S/C8H17N/c1-7-4-3-5-8(2,9)6-7/h7H,3-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyYDCFHXBMJXTPLV-HTQZYQBOSA-N
MW127.23 g/mol
LogP1.91
Rot. Bonds

About cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine

cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine (PubChem CID 10797095) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
PubChem CID10797095
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Namecis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CCC[C@@](C)(N)C1
InChIInChI=1S/C8H17N/c1-7-4-3-5-8(2,9)6-7/h7H,3-6,9H2,1-2H3/t7-,8-/m1/s1
InChIKeyYDCFHXBMJXTPLV-HTQZYQBOSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dimethylcycloheptan-1-amine
CID 65080006
trans-(1R,5S)-1,5-dimethylcyclononan-1-amine
CID 130457734
1,6-dimethylcyclodecan-1-amine
CID 163518000
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
3-(aminomethyl)-1-methylcyclohexan-1-amine
CID 11804870
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
trans-(1R,3S)-1-amino-3-methylcyclohexane-1-carbonitrile
CID 30072442
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine?
The IUPAC name of cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine (CID 10797095) is cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine is C[C@@H]1CCC[C@@](C)(N)C1.
What is the InChIKey of cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine?
The InChIKey is YDCFHXBMJXTPLV-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17N/c1-7-4-3-5-8(2,9)6-7/h7H,3-6,9H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine?
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 10797095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).