N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine

C18H31N3 — CID 81022983

IUPACN-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCn1nccc1C1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C18H31N3/c1-4-11-21-17(8-10-20-21)16-12-18(2,3)9-7-14(16)13-19-15-5-6-15/h8,10,14-16,19H,4-7,9,11-13H2,1-3H3
InChIKeyQMIUZSSFEJYLRE-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.95
Rot. Bonds6

About N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine

N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81022983) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81022983
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCn1nccc1C1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C18H31N3/c1-4-11-21-17(8-10-20-21)16-12-18(2,3)9-7-14(16)13-19-15-5-6-15/h8,10,14-16,19H,4-7,9,11-13H2,1-3H3
InChIKeyQMIUZSSFEJYLRE-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine (CID 81022983) is N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine is CCCn1nccc1C1CC(C)(C)CCC1CNC1CC1.
What is the InChIKey of N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is QMIUZSSFEJYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-11-21-17(8-10-20-21)16-12-18(2,3)9-7-14(16)13-19-15-5-6-15/h8,10,14-16,19H,4-7,9,11-13H2,1-3H3.
What are the key properties of N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine?
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 289.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81022983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).