1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine

C17H32N4 — CID 79061750

IUPAC1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H32N4/c1-5-12-18-16(15-13-19-21(6-2)14-15)17(20(3)4)10-8-7-9-11-17/h13-14,16,18H,5-12H2,1-4H3
InChIKeyAIWOBNRTVNBVFL-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.21
Rot. Bonds7

About 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine

1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79061750) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79061750
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCCNC(c1cnn(CC)c1)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H32N4/c1-5-12-18-16(15-13-19-21(6-2)14-15)17(20(3)4)10-8-7-9-11-17/h13-14,16,18H,5-12H2,1-4H3
InChIKeyAIWOBNRTVNBVFL-UHFFFAOYSA-N
XLogP3.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816322
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560
N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
1-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243226
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
1-(1-ethylcyclopentyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 115816143
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
[(1-ethylpyrazol-4-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256090
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79061750) is 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine is CCCNC(c1cnn(CC)c1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is AIWOBNRTVNBVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-12-18-16(15-13-19-21(6-2)14-15)17(20(3)4)10-8-7-9-11-17/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79061750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).