N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

C16H29N3 — CID 64722566

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C16H29N3/c1-12-6-13(2)8-15(7-12)17-9-14-10-18-19(11-14)16(3,4)5/h10-13,15,17H,6-9H2,1-5H3
InChIKeyFDFNRYCMUDABLQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.55
Rot. Bonds3

About N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 64722566) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID64722566
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)CC(NCc2cnn(C(C)(C)C)c2)C1
InChIInChI=1S/C16H29N3/c1-12-6-13(2)8-15(7-12)17-9-14-10-18-19(11-14)16(3,4)5/h10-13,15,17H,6-9H2,1-5H3
InChIKeyFDFNRYCMUDABLQ-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 64722566) is N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is CC1CC(C)CC(NCc2cnn(C(C)(C)C)c2)C1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is FDFNRYCMUDABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-6-13(2)8-15(7-12)17-9-14-10-18-19(11-14)16(3,4)5/h10-13,15,17H,6-9H2,1-5H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64722566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).