trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine

C19H36N2O — CID 124732476

IUPACtrans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1NCC1(CN[C@H]2CCCC[C@@H]2C)COC1
InChIInChI=1S/C19H36N2O/c1-15-7-3-5-9-17(15)20-11-19(13-22-14-19)12-21-18-10-6-4-8-16(18)2/h15-18,20-21H,3-14H2,1-2H3/t15-,16+,17-,18-/m0/s1
InChIKeyJPCDOHGIMLVDFM-MHORFTMASA-N
MW308.51 g/mol
LogP3.34
Rot. Bonds6

About trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine

trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine (PubChem CID 124732476) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine
PubChem CID124732476
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Nametrans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine
SMILESC[C@@H]1CCCC[C@@H]1NCC1(CN[C@H]2CCCC[C@@H]2C)COC1
InChIInChI=1S/C19H36N2O/c1-15-7-3-5-9-17(15)20-11-19(13-22-14-19)12-21-18-10-6-4-8-16(18)2/h15-18,20-21H,3-14H2,1-2H3/t15-,16+,17-,18-/m0/s1
InChIKeyJPCDOHGIMLVDFM-MHORFTMASA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
2-[1-[[(2-methylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65480154
N-[[3-[(cyclohexylamino)methyl]oxetan-3-yl]methyl]cyclohexanamine
CID 13404591
2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol
CID 107270894
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
CID 102731427
cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine
CID 88940989
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine (CID 124732476) is trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine is C[C@@H]1CCCC[C@@H]1NCC1(CN[C@H]2CCCC[C@@H]2C)COC1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is JPCDOHGIMLVDFM-MHORFTMASA-N. The full InChI is InChI=1S/C19H36N2O/c1-15-7-3-5-9-17(15)20-11-19(13-22-14-19)12-21-18-10-6-4-8-16(18)2/h15-18,20-21H,3-14H2,1-2H3/t15-,16+,17-,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine?
trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 308.51 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-[[3-[[[(1S,2R)-2-methylcyclohexyl]amino]methyl]oxetan-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 124732476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).