1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

C16H29N3 — CID 103753060

IUPAC1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCC1(CNCc2cnn(C(C)(C)C)c2)CCCCC1
InChIInChI=1S/C16H29N3/c1-15(2,3)19-12-14(11-18-19)10-17-13-16(4)8-6-5-7-9-16/h11-12,17H,5-10,13H2,1-4H3
InChIKeyPEMUQIRCTAHAEU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds4

About 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine

1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine (PubChem CID 103753060) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
PubChem CID103753060
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
SMILESCC1(CNCc2cnn(C(C)(C)C)c2)CCCCC1
InChIInChI=1S/C16H29N3/c1-15(2,3)19-12-14(11-18-19)10-17-13-16(4)8-6-5-7-9-16/h11-12,17H,5-10,13H2,1-4H3
InChIKeyPEMUQIRCTAHAEU-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-tert-butylpyrazol-4-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528628
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
1-(1-tert-butylpyrazol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802349
1-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932481
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
N-[(1-methylcyclopentyl)methyl]-1-pyrimidin-5-ylmethanamine
CID 63821994
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 60962271
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
N-[(1-methylcyclobutyl)methyl]-1-pyrimidin-5-ylmethanamine;hydrochloride
CID 115680392
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
CID 103924056

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine (CID 103753060) is 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine is CC1(CNCc2cnn(C(C)(C)C)c2)CCCCC1.
What is the InChIKey of 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
The InChIKey is PEMUQIRCTAHAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-15(2,3)19-12-14(11-18-19)10-17-13-16(4)8-6-5-7-9-16/h11-12,17H,5-10,13H2,1-4H3.
What are the key properties of 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine?
1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 103753060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).