cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine

C8H18N2 — CID 86328477

IUPACcis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCN(C)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3/t7-,8+/m1/s1
InChIKeyKKGNWXHXFXNADS-SFYZADRCSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds1

About cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine

cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine (PubChem CID 86328477) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Namecis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
PubChem CID86328477
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Namecis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
SMILESCN(C)[C@H]1CCC[C@@H](N)C1
InChIInChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3/t7-,8+/m1/s1
InChIKeyKKGNWXHXFXNADS-SFYZADRCSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
2-[(3-aminocyclohexyl)-methylamino]cyclohexan-1-ol
CID 102640048
1-N-methyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79464936
1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
CID 79469197
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
CID 79469660
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
CID 79467774
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
[(1S,3R)-3-(dimethylamino)cyclohexyl]methanol
CID 131020197
1-N,1-N-bis(cyclopropylmethyl)cyclohexane-1,3-diamine
CID 79469200
trans-(1S,3S)-3-(dimethylamino)cyclohexan-1-ol
CID 91701319

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine (CID 86328477) is cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine is CN(C)[C@H]1CCC[C@@H](N)C1.
What is the InChIKey of cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is KKGNWXHXFXNADS-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18N2/c1-10(2)8-5-3-4-7(9)6-8/h7-8H,3-6,9H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine?
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 86328477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).