1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine

C17H32N4 — CID 79060933

IUPAC1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCn1nc(C)cc1CC(N)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-6-21-15(11-14(3)19-21)12-16(18)17(20(4)5)9-7-13(2)8-10-17/h11,13,16H,6-10,12,18H2,1-5H3
InChIKeyBXWKJLOJJLIGKQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.59
Rot. Bonds5

About 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine

1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79060933) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79060933
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCn1nc(C)cc1CC(N)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H32N4/c1-6-21-15(11-14(3)19-21)12-16(18)17(20(4)5)9-7-13(2)8-10-17/h11,13,16H,6-10,12,18H2,1-5H3
InChIKeyBXWKJLOJJLIGKQ-UHFFFAOYSA-N
XLogP2.59
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766289
1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069976
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700
1-[1-amino-2-(3,5-difluorophenyl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105406557
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062269
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074801
1-(1-amino-2-pyridin-3-ylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 104736535
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propylcyclohexyl)ethyl]hydrazine
CID 105232165
3-N,3-N-diethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutane-2,3-diamine
CID 79053571
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79060933) is 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine is CCn1nc(C)cc1CC(N)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is BXWKJLOJJLIGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-21-15(11-14(3)19-21)12-16(18)17(20(4)5)9-7-13(2)8-10-17/h11,13,16H,6-10,12,18H2,1-5H3.
What are the key properties of 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79060933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).