N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine

C11H20N2 — CID 104806798

IUPACN-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine
SMILESCC#CCCNCCN1CCCC1
InChIInChI=1S/C11H20N2/c1-2-3-4-7-12-8-11-13-9-5-6-10-13/h12H,4-11H2,1H3
InChIKeyRYRZZUJNJSHSMH-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.09
Rot. Bonds5

About N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine

N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine (PubChem CID 104806798) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine
PubChem CID104806798
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine
SMILESCC#CCCNCCN1CCCC1
InChIInChI=1S/C11H20N2/c1-2-3-4-7-12-8-11-13-9-5-6-10-13/h12H,4-11H2,1H3
InChIKeyRYRZZUJNJSHSMH-UHFFFAOYSA-N
XLogP1.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(2-(pyrrolidin-1-yl)ethyl)amine
CID 295976
methyl[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]amine
CID 14804464
N-Ethyl-2-Pyrrolidin-1-Ylethanamine
CID 15113276
Propyl[2-(pyrrolidin-1-yl)ethyl]amine
CID 15113277
Isopropyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 23518736
2-Butyn-1-amine, N-methyl-4-(1-pyrrolidinyl)-
CID 535893
1,2-Ethanediamine, N1-[2-(1-pyrrolidinyl)ethyl]-
CID 80405
N,N-dimethyl-N'-(2-pyrrolidinoethyl)ethylenediamine
CID 60686692
N,N-dimethyl-3-[(2S)-pyrrolidin-2-yl]prop-2-yn-1-amine
CID 14730296
N,N-dimethyl-3-[(2R)-pyrrolidin-2-yl]prop-2-yn-1-amine
CID 14730298
N-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]propan-1-amine
CID 144185356
methyl[(2S)-2-(pyrrolidin-1-yl)propyl]amine
CID 14804443

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine (CID 104806798) is N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine is CC#CCCNCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine?
The InChIKey is RYRZZUJNJSHSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-3-4-7-12-8-11-13-9-5-6-10-13/h12H,4-11H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine?
N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine has a molecular weight of 180.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).