1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

C16H29N3 — CID 107188799

IUPAC1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3/c1-5-12-19-14(9-11-18-19)15(17-4)13-8-6-7-10-16(13,2)3/h9,11,13,15,17H,5-8,10,12H2,1-4H3
InChIKeyCZYQYHLPUUMAFV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.77
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine

1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (PubChem CID 107188799) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
PubChem CID107188799
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
SMILESCCCn1nccc1C(NC)C1CCCCC1(C)C
InChIInChI=1S/C16H29N3/c1-5-12-19-14(9-11-18-19)15(17-4)13-8-6-7-10-16(13,2)3/h9,11,13,15,17H,5-8,10,12H2,1-4H3
InChIKeyCZYQYHLPUUMAFV-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107188819
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
CID 105148124
1-cyclopentyl-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 63976376
1-(1-methoxycyclopentyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 104610857
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
N-methyl-1-(2-propylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79059475
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115387757

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine (CID 107188799) is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is CCCn1nccc1C(NC)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
The InChIKey is CZYQYHLPUUMAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-12-19-14(9-11-18-19)15(17-4)13-8-6-7-10-16(13,2)3/h9,11,13,15,17H,5-8,10,12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine?
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107188799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).