N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine

C15H26N2 — CID 114202020

IUPACN-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESC#CC(NC1CCCC1C1CCCN1)C(C)C
InChIInChI=1S/C15H26N2/c1-4-13(11(2)3)17-15-8-5-7-12(15)14-9-6-10-16-14/h1,11-17H,5-10H2,2-3H3
InChIKeyULKGVQYFZOTAMJ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.15
Rot. Bonds4

About N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine

N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine (PubChem CID 114202020) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine
PubChem CID114202020
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine
SMILESC#CC(NC1CCCC1C1CCCN1)C(C)C
InChIInChI=1S/C15H26N2/c1-4-13(11(2)3)17-15-8-5-7-12(15)14-9-6-10-16-14/h1,11-17H,5-10H2,2-3H3
InChIKeyULKGVQYFZOTAMJ-UHFFFAOYSA-N
XLogP2.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884
N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106224436
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136
N-(2-methylpropoxy)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 82711540
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
2-piperidin-2-yl-N-prop-2-ynylcyclopentan-1-amine
CID 79545352
N-ethyl-N-methyl-2-[(2-piperidin-2-ylcyclohexyl)amino]propanamide
CID 103107021
2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761
4-methoxy-2-[(2-pyrrolidin-2-ylcyclopentyl)amino]butan-1-ol
CID 114210348
N-(1-cyclohexylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544436
1-N,1-N-dimethyl-2-N-(2-piperidin-2-ylcyclopentyl)propane-1,2-diamine
CID 82939086
N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine (CID 114202020) is N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine is C#CC(NC1CCCC1C1CCCN1)C(C)C.
What is the InChIKey of N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
The InChIKey is ULKGVQYFZOTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-13(11(2)3)17-15-8-5-7-12(15)14-9-6-10-16-14/h1,11-17H,5-10H2,2-3H3.
What are the key properties of N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine?
N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpent-1-yn-3-yl)-2-pyrrolidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 114202020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).