4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine

C16H29N3 — CID 114555646

IUPAC4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccnn2CCC)CC1
InChIInChI=1S/C16H29N3/c1-3-5-14-6-8-15(9-7-14)17-13-16-10-11-18-19(16)12-4-2/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyIEMUHDREBFTHMN-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.74
Rot. Bonds7

About 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine

4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 114555646) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID114555646
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2ccnn2CCC)CC1
InChIInChI=1S/C16H29N3/c1-3-5-14-6-8-15(9-7-14)17-13-16-10-11-18-19(16)12-4-2/h10-11,14-15,17H,3-9,12-13H2,1-2H3
InChIKeyIEMUHDREBFTHMN-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
3,3-dimethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114556221
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
2,2-diethyl-N-[(2-propylpyrazol-3-yl)methyl]oxan-4-amine
CID 114556046
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
N-[[2-[2-(4-methoxyphenyl)ethyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65441861
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
4-propyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexan-1-amine
CID 103437694
2-cyclopropyl-N-[(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 114556145

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 114555646) is 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine is CCCC1CCC(NCc2ccnn2CCC)CC1.
What is the InChIKey of 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is IEMUHDREBFTHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-14-6-8-15(9-7-14)17-13-16-10-11-18-19(16)12-4-2/h10-11,14-15,17H,3-9,12-13H2,1-2H3.
What are the key properties of 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine?
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114555646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).