N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine

C12H20N2 — CID 62310143

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
SMILESCC#CCNCC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N2/c1-2-3-7-13-9-11-6-8-14(10-11)12-4-5-12/h11-13H,4-10H2,1H3
InChIKeyLLVHKDIYNXCMML-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.08
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine (PubChem CID 62310143) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
PubChem CID62310143
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine
SMILESCC#CCNCC1CCN(C2CC2)C1
InChIInChI=1S/C12H20N2/c1-2-3-7-13-9-11-6-8-14(10-11)12-4-5-12/h11-13H,4-10H2,1H3
InChIKeyLLVHKDIYNXCMML-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.08
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

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
CID 60977265
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 82835243
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methylhexan-2-amine
CID 54927106
N-(cycloheptylmethyl)but-2-yn-1-amine
CID 115866189
N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine (CID 62310143) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine is CC#CCNCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine?
The InChIKey is LLVHKDIYNXCMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-7-13-9-11-6-8-14(10-11)12-4-5-12/h11-13H,4-10H2,1H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-2-yn-1-amine is sourced from PubChem (CID 62310143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).