1-methyl-N-pent-3-ynylpyrrolidin-3-amine

C10H18N2 — CID 104806498

IUPAC1-methyl-N-pent-3-ynylpyrrolidin-3-amine
SMILESCC#CCCNC1CCN(C)C1
InChIInChI=1S/C10H18N2/c1-3-4-5-7-11-10-6-8-12(2)9-10/h10-11H,5-9H2,1-2H3
InChIKeyKHFMPZLPNROWGW-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds3

About 1-methyl-N-pent-3-ynylpyrrolidin-3-amine

1-methyl-N-pent-3-ynylpyrrolidin-3-amine (PubChem CID 104806498) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-methyl-N-pent-3-ynylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-pent-3-ynylpyrrolidin-3-amine
PubChem CID104806498
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-methyl-N-pent-3-ynylpyrrolidin-3-amine
SMILESCC#CCCNC1CCN(C)C1
InChIInChI=1S/C10H18N2/c1-3-4-5-7-11-10-6-8-12(2)9-10/h10-11H,5-9H2,1-2H3
InChIKeyKHFMPZLPNROWGW-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
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'}

Analyze 1-methyl-N-pent-3-ynylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-but-2-ynyl-1-methylpiperidin-4-amine
CID 62310337
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
N,N-dimethyl-2-[4-(pent-3-ynylamino)piperidin-1-yl]acetamide
CID 116643187
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127
(3S)-N-heptyl-1-methylpyrrolidin-3-amine
CID 143197817
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
N-(3-cyclopentylpropyl)-1-methylpyrrolidin-3-amine
CID 103748169
N-[(1-methylpiperidin-3-yl)methyl]pent-3-yn-1-amine
CID 104806624
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081
1-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 112698344

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pent-3-ynylpyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-pent-3-ynylpyrrolidin-3-amine (CID 104806498) is 1-methyl-N-pent-3-ynylpyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-pent-3-ynylpyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-pent-3-ynylpyrrolidin-3-amine is CC#CCCNC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-pent-3-ynylpyrrolidin-3-amine?
The InChIKey is KHFMPZLPNROWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-7-11-10-6-8-12(2)9-10/h10-11H,5-9H2,1-2H3.
What are the key properties of 1-methyl-N-pent-3-ynylpyrrolidin-3-amine?
1-methyl-N-pent-3-ynylpyrrolidin-3-amine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pent-3-ynylpyrrolidin-3-amine is sourced from PubChem (CID 104806498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).