N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine

C15H27N3 — CID 103014311

IUPACN-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
SMILESCC(C)CC(CCc1cnn(C)c1)CNC1CC1
InChIInChI=1S/C15H27N3/c1-12(2)8-13(9-16-15-6-7-15)4-5-14-10-17-18(3)11-14/h10-13,15-16H,4-9H2,1-3H3
InChIKeyHKJHWWGWTMBMHS-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.77
Rot. Bonds8

About N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine

N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine (PubChem CID 103014311) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
PubChem CID103014311
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
SMILESCC(C)CC(CCc1cnn(C)c1)CNC1CC1
InChIInChI=1S/C15H27N3/c1-12(2)8-13(9-16-15-6-7-15)4-5-14-10-17-18(3)11-14/h10-13,15-16H,4-9H2,1-3H3
InChIKeyHKJHWWGWTMBMHS-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine
CID 103014322
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 103014294

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine?
The IUPAC name of N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine (CID 103014311) is N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine is CC(C)CC(CCc1cnn(C)c1)CNC1CC1.
What is the InChIKey of N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine?
The InChIKey is HKJHWWGWTMBMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)8-13(9-16-15-6-7-15)4-5-14-10-17-18(3)11-14/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine?
N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[2-(1-methylpyrazol-4-yl)ethyl]pentyl]cyclopropanamine is sourced from PubChem (CID 103014311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).