N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine

C11H21N3 — CID 164651480

IUPACN-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCC2CC=CC2)CC1
InChIInChI=1S/C11H21N3/c1-13-6-8-14(9-7-13)12-10-11-4-2-3-5-11/h2-3,11-12H,4-10H2,1H3
InChIKeyHFZRFJGADCYRRH-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.70
Rot. Bonds3

About N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine

N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine (PubChem CID 164651480) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
PubChem CID164651480
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
SMILESCN1CCN(NCC2CC=CC2)CC1
InChIInChI=1S/C11H21N3/c1-13-6-8-14(9-7-13)12-10-11-4-2-3-5-11/h2-3,11-12H,4-10H2,1H3
InChIKeyHFZRFJGADCYRRH-UHFFFAOYSA-N
XLogP0.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclopent-3-en-1-ylmethyl)piperazine
CID 65353471
N-(cyclohex-3-en-1-ylmethyl)-4-methylpiperazin-1-amine
CID 83009868
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylpiperazin-1-amine
CID 103277014
1-[(Cyclopent-3-en-1-yl)methyl]-1,2-diazinane
CID 164652652

Frequently Asked Questions

What is the IUPAC name of N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine (CID 164651480) is N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine is CN1CCN(NCC2CC=CC2)CC1.
What is the InChIKey of N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
The InChIKey is HFZRFJGADCYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13-6-8-14(9-7-13)12-10-11-4-2-3-5-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine?
N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine has a molecular weight of 195.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopent-3-en-1-ylmethyl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 164651480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).