(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine

C14H25N3O — CID 95226564

IUPAC(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCc1cc(CN[C@@H]2CCCC(C)(C)C2)n[nH]1
InChIInChI=1S/C14H25N3O/c1-14(2)6-4-5-11(8-14)15-9-12-7-13(10-18-3)17-16-12/h7,11,15H,4-6,8-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyBAMQQDUEWBPRNB-LLVKDONJSA-N
MW251.37 g/mol
LogP2.61
Rot. Bonds5

About (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine

(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 95226564) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID95226564
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCc1cc(CN[C@@H]2CCCC(C)(C)C2)n[nH]1
InChIInChI=1S/C14H25N3O/c1-14(2)6-4-5-11(8-14)15-9-12-7-13(10-18-3)17-16-12/h7,11,15H,4-6,8-10H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyBAMQQDUEWBPRNB-LLVKDONJSA-N
XLogP2.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 81422509
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
2-[[(3,3-dimethylcyclohexyl)amino]methyl]phenol
CID 81422757
N-[(4,5-dibromothiophen-2-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 102836922
N'-cycloheptyl-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]butanediamide
CID 46989113
3,3-dimethyl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 81435291
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
N-[[4-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965630
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
4-[5-(methoxymethyl)-1H-pyrazol-3-yl]piperidine
CID 90920394

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine (CID 95226564) is (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine is COCc1cc(CN[C@@H]2CCCC(C)(C)C2)n[nH]1.
What is the InChIKey of (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is BAMQQDUEWBPRNB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2)6-4-5-11(8-14)15-9-12-7-13(10-18-3)17-16-12/h7,11,15H,4-6,8-10H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine?
(1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 95226564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).