N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine

C16H29N3 — CID 103461395

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-4-16(2,3)13-17-12-14-10-11-19(18-14)15-8-6-5-7-9-15/h10-11,15,17H,4-9,12-13H2,1-3H3
InChIKeyYOHPZJLZWFIWQV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds6

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 103461395) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID103461395
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-4-16(2,3)13-17-12-14-10-11-19(18-14)15-8-6-5-7-9-15/h10-11,15,17H,4-9,12-13H2,1-3H3
InChIKeyYOHPZJLZWFIWQV-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
2-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256545
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
2-[(1-cyclohexylpyrazol-3-yl)methylamino]-2-methylbutan-1-ol
CID 64800330
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine (CID 103461395) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1ccn(C2CCCCC2)n1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is YOHPZJLZWFIWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-16(2,3)13-17-12-14-10-11-19(18-14)15-8-6-5-7-9-15/h10-11,15,17H,4-9,12-13H2,1-3H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103461395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).