5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile

C14H27N3 — CID 106616646

IUPAC5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
SMILESCCCCN(CCCCC#N)CC1CCCN1
InChIInChI=1S/C14H27N3/c1-2-3-11-17(12-6-4-5-9-15)13-14-8-7-10-16-14/h14,16H,2-8,10-13H2,1H3
InChIKeyRXJVQPWPXWQUMM-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.53
Rot. Bonds9

About 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile

5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile (PubChem CID 106616646) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
PubChem CID106616646
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
SMILESCCCCN(CCCCC#N)CC1CCCN1
InChIInChI=1S/C14H27N3/c1-2-3-11-17(12-6-4-5-9-15)13-14-8-7-10-16-14/h14,16H,2-8,10-13H2,1H3
InChIKeyRXJVQPWPXWQUMM-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
4-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 106616669
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
The IUPAC name of 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile (CID 106616646) is 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile.
What is the SMILES notation for 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
The canonical SMILES for 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile is CCCCN(CCCCC#N)CC1CCCN1.
What is the InChIKey of 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
The InChIKey is RXJVQPWPXWQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-3-11-17(12-6-4-5-9-15)13-14-8-7-10-16-14/h14,16H,2-8,10-13H2,1H3.
What are the key properties of 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile?
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile is sourced from PubChem (CID 106616646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).