N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine

C17H29N3 — CID 95047517

IUPACN-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine
SMILESC=CCn1ncc(CN(C2CCCC2)[C@H](C)CC)c1C
InChIInChI=1S/C17H29N3/c1-5-11-20-15(4)16(12-18-20)13-19(14(3)6-2)17-9-7-8-10-17/h5,12,14,17H,1,6-11,13H2,2-4H3/t14-/m1/s1
InChIKeyAOCYDYOGVUQZID-CQSZACIVSA-N
MW275.44 g/mol
LogP3.92
Rot. Bonds7

About N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine

N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine (PubChem CID 95047517) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine
PubChem CID95047517
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine
SMILESC=CCn1ncc(CN(C2CCCC2)[C@H](C)CC)c1C
InChIInChI=1S/C17H29N3/c1-5-11-20-15(4)16(12-18-20)13-19(14(3)6-2)17-9-7-8-10-17/h5,12,14,17H,1,6-11,13H2,2-4H3/t14-/m1/s1
InChIKeyAOCYDYOGVUQZID-CQSZACIVSA-N
XLogP3.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine (CID 95047517) is N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine is C=CCn1ncc(CN(C2CCCC2)[C@H](C)CC)c1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine?
The InChIKey is AOCYDYOGVUQZID-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-11-20-15(4)16(12-18-20)13-19(14(3)6-2)17-9-7-8-10-17/h5,12,14,17H,1,6-11,13H2,2-4H3/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine?
N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine has a molecular weight of 275.44 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 95047517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).