1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine

C16H30N4 — CID 79066061

IUPAC1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(C)n1ccc(CC(N)C2(N(C)C)CCCCC2)n1
InChIInChI=1S/C16H30N4/c1-13(2)20-11-8-14(18-20)12-15(17)16(19(3)4)9-6-5-7-10-16/h8,11,13,15H,5-7,9-10,12,17H2,1-4H3
InChIKeyGQNFKKWTGCBUTQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.60
Rot. Bonds5

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

1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066061) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066061
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(C)n1ccc(CC(N)C2(N(C)C)CCCCC2)n1
InChIInChI=1S/C16H30N4/c1-13(2)20-11-8-14(18-20)12-15(17)16(19(3)4)9-6-5-7-10-16/h8,11,13,15H,5-7,9-10,12,17H2,1-4H3
InChIKeyGQNFKKWTGCBUTQ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243166
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866
1-[1-(dimethylamino)cycloheptyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 79063367
1-(4-ethoxyoxan-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116765492
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
1-[1-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080656
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79066061) is 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is CC(C)n1ccc(CC(N)C2(N(C)C)CCCCC2)n1.
What is the InChIKey of 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is GQNFKKWTGCBUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(2)20-11-8-14(18-20)12-15(17)16(19(3)4)9-6-5-7-10-16/h8,11,13,15H,5-7,9-10,12,17H2,1-4H3.
What are the key properties of 1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.60, 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-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).