cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine

C12H19N3 — CID 94577889

IUPACcis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
SMILESC[C@H]1CCCC[C@H]1NCc1cncnc1
InChIInChI=1S/C12H19N3/c1-10-4-2-3-5-12(10)15-8-11-6-13-9-14-7-11/h6-7,9-10,12,15H,2-5,8H2,1H3/t10-,12+/m0/s1
InChIKeyXHZVKBMHTWPYQQ-CMPLNLGQSA-N
MW205.31 g/mol
LogP2.14
Rot. Bonds3

About cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine

cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine (PubChem CID 94577889) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
PubChem CID94577889
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Namecis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
SMILESC[C@H]1CCCC[C@H]1NCc1cncnc1
InChIInChI=1S/C12H19N3/c1-10-4-2-3-5-12(10)15-8-11-6-13-9-14-7-11/h6-7,9-10,12,15H,2-5,8H2,1H3/t10-,12+/m0/s1
InChIKeyXHZVKBMHTWPYQQ-CMPLNLGQSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1,2-oxazol-4-ylmethyl)cyclohexan-1-amine
CID 60870943
cis-(1S,2R)-N-[(3,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 6962836
N-(2-methylcyclopentyl)pyrimidin-5-amine
CID 107587748
2,6-dimethyl-N-(pyrimidin-5-ylmethyl)piperidin-1-amine
CID 83006721
2-[(5-methyl-3-pyridinyl)methylamino]cyclohexan-1-ol
CID 102880835
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55194302
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 43434809
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
2-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 43183350
2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
CID 66129396
2-chloro-N-[(5-methyl-3-pyridinyl)methyl]cycloheptan-1-amine
CID 102879005

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine (CID 94577889) is cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine is C[C@H]1CCCC[C@H]1NCc1cncnc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is XHZVKBMHTWPYQQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-2-3-5-12(10)15-8-11-6-13-9-14-7-11/h6-7,9-10,12,15H,2-5,8H2,1H3/t10-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 94577889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).