4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine

C16H29N3 — CID 79207370

IUPAC4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC(CN3CCCC3)CC2)C1
InChIInChI=1S/C16H29N3/c17-16-4-3-15(11-16)13-19-9-5-14(6-10-19)12-18-7-1-2-8-18/h3-4,14-16H,1-2,5-13,17H2
InChIKeyZMGSMVLNUVLXSZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.70
Rot. Bonds4

About 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine

4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine (PubChem CID 79207370) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
PubChem CID79207370
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC(CN3CCCC3)CC2)C1
InChIInChI=1S/C16H29N3/c17-16-4-3-15(11-16)13-19-9-5-14(6-10-19)12-18-7-1-2-8-18/h3-4,14-16H,1-2,5-13,17H2
InChIKeyZMGSMVLNUVLXSZ-UHFFFAOYSA-N
XLogP1.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine (CID 79207370) is 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine is NC1C=CC(CN2CCC(CN3CCCC3)CC2)C1.
What is the InChIKey of 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
The InChIKey is ZMGSMVLNUVLXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c17-16-4-3-15(11-16)13-19-9-5-14(6-10-19)12-18-7-1-2-8-18/h3-4,14-16H,1-2,5-13,17H2.
What are the key properties of 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine?
4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine has a molecular weight of 263.43 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).