N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

C18H33N3 — CID 107188801

IUPACN-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CCC)C1CCCCC1(C)C
InChIInChI=1S/C18H33N3/c1-5-12-19-17(15-9-7-8-11-18(15,3)4)16-10-13-20-21(16)14-6-2/h10,13,15,17,19H,5-9,11-12,14H2,1-4H3
InChIKeyXZMZGKFQTDSTJP-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.55
Rot. Bonds7

About N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine

N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 107188801) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID107188801
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CCC)C1CCCCC1(C)C
InChIInChI=1S/C18H33N3/c1-5-12-19-17(15-9-7-8-11-18(15,3)4)16-10-13-20-21(16)14-6-2/h10,13,15,17,19H,5-9,11-12,14H2,1-4H3
InChIKeyXZMZGKFQTDSTJP-UHFFFAOYSA-N
XLogP4.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-[(2,2-dimethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107188819
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
N-[(4-bromophenyl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107177481
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 107190904
N-[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115387314
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79960941
N-[1,4-oxathian-2-yl-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 79963660
N-[(2-ethylpyrazol-3-yl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188815

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine (CID 107188801) is N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccnn1CCC)C1CCCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is XZMZGKFQTDSTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-12-19-17(15-9-7-8-11-18(15,3)4)16-10-13-20-21(16)14-6-2/h10,13,15,17,19H,5-9,11-12,14H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107188801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).