[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine

C20H29N3 — CID 18762002

IUPAC[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine
SMILESCN1CCCC1c1ccc(C#CCC2CCC(CN)CC2)nc1
InChIInChI=1S/C20H29N3/c1-23-13-3-6-20(23)18-11-12-19(22-15-18)5-2-4-16-7-9-17(14-21)10-8-16/h11-12,15-17,20H,3-4,6-10,13-14,21H2,1H3
InChIKeyRVEIFTQZLSKJLK-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.36
Rot. Bonds3

About [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine

[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine (PubChem CID 18762002) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine
PubChem CID18762002
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine
SMILESCN1CCCC1c1ccc(C#CCC2CCC(CN)CC2)nc1
InChIInChI=1S/C20H29N3/c1-23-13-3-6-20(23)18-11-12-19(22-15-18)5-2-4-16-7-9-17(14-21)10-8-16/h11-12,15-17,20H,3-4,6-10,13-14,21H2,1H3
InChIKeyRVEIFTQZLSKJLK-UHFFFAOYSA-N
XLogP3.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine (CID 18762002) is [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine is CN1CCCC1c1ccc(C#CCC2CCC(CN)CC2)nc1.
What is the InChIKey of [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine?
The InChIKey is RVEIFTQZLSKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-23-13-3-6-20(23)18-11-12-19(22-15-18)5-2-4-16-7-9-17(14-21)10-8-16/h11-12,15-17,20H,3-4,6-10,13-14,21H2,1H3.
What are the key properties of [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine?
[4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine has a molecular weight of 311.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]prop-2-ynyl]cyclohexyl]methanamine is sourced from PubChem (CID 18762002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).