cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine

C16H29N3O — CID 97336565

IUPACcis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine
SMILESCCc1nn(C)c(CC)c1CN[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C16H29N3O/c1-5-13-12(15(6-2)19(3)18-13)11-17-14-9-7-8-10-16(14)20-4/h14,16-17H,5-11H2,1-4H3/t14-,16+/m0/s1
InChIKeyUMXCCXSXAGKWHK-GOEBONIOSA-N
MW279.43 g/mol
LogP2.59
Rot. Bonds6

About cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine

cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine (PubChem CID 97336565) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine
PubChem CID97336565
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Namecis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine
SMILESCCc1nn(C)c(CC)c1CN[C@H]1CCCC[C@H]1OC
InChIInChI=1S/C16H29N3O/c1-5-13-12(15(6-2)19(3)18-13)11-17-14-9-7-8-10-16(14)20-4/h14,16-17H,5-11H2,1-4H3/t14-,16+/m0/s1
InChIKeyUMXCCXSXAGKWHK-GOEBONIOSA-N
XLogP2.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine with MolForge

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Related Compounds

(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128970652
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62086943
(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 109479954
N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]cyclopentan-1-amine
CID 62474062
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
CID 154752899
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 109401895
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
2-methoxy-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732649
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 109402911
N-(cyclopropylmethyl)-2-methoxycyclohexan-1-amine
CID 43756809

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine (CID 97336565) is cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine is CCc1nn(C)c(CC)c1CN[C@H]1CCCC[C@H]1OC.
What is the InChIKey of cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine?
The InChIKey is UMXCCXSXAGKWHK-GOEBONIOSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-13-12(15(6-2)19(3)18-13)11-17-14-9-7-8-10-16(14)20-4/h14,16-17H,5-11H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine?
cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 97336565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).