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

C16H30N4 — CID 79065984

IUPAC1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCc1cc(CC(N)C2(N(C)C)CCCCC2)n(C)n1
InChIInChI=1S/C16H30N4/c1-5-13-11-14(20(4)18-13)12-15(17)16(19(2)3)9-7-6-8-10-16/h11,15H,5-10,12,17H2,1-4H3
InChIKeyCARVDYWSDGVREH-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.12
Rot. Bonds5

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

1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79065984) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79065984
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCc1cc(CC(N)C2(N(C)C)CCCCC2)n(C)n1
InChIInChI=1S/C16H30N4/c1-5-13-11-14(20(4)18-13)12-15(17)16(19(2)3)9-7-6-8-10-16/h11,15H,5-10,12,17H2,1-4H3
InChIKeyCARVDYWSDGVREH-UHFFFAOYSA-N
XLogP2.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069976
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
CID 116769741
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
1-[1-amino-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79062504
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080658
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 79066115
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066061
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79065984) is 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is CCc1cc(CC(N)C2(N(C)C)CCCCC2)n(C)n1.
What is the InChIKey of 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is CARVDYWSDGVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-13-11-14(20(4)18-13)12-15(17)16(19(2)3)9-7-6-8-10-16/h11,15H,5-10,12,17H2,1-4H3.
What are the key properties of 1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.12, 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-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79065984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).