N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine

C12H22N2 — CID 106615913

IUPACN-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
SMILESCC#CCN(CCC)CC1CCCN1
InChIInChI=1S/C12H22N2/c1-3-5-10-14(9-4-2)11-12-7-6-8-13-12/h12-13H,4,6-11H2,1-2H3
InChIKeyRWKDKFJCLAFVMF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds5

About N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine

N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine (PubChem CID 106615913) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
PubChem CID106615913
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
SMILESCC#CCN(CCC)CC1CCCN1
InChIInChI=1S/C12H22N2/c1-3-5-10-14(9-4-2)11-12-7-6-8-13-12/h12-13H,4,6-11H2,1-2H3
InChIKeyRWKDKFJCLAFVMF-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-(2-propoxyethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106616009
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-(2-ethylsulfanylethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635829
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615615
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine?
The IUPAC name of N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine (CID 106615913) is N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine.
What is the SMILES notation for N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine?
The canonical SMILES for N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine is CC#CCN(CCC)CC1CCCN1.
What is the InChIKey of N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine?
The InChIKey is RWKDKFJCLAFVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-10-14(9-4-2)11-12-7-6-8-13-12/h12-13H,4,6-11H2,1-2H3.
What are the key properties of N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine?
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine is sourced from PubChem (CID 106615913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).