N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C16H27N3 — CID 106616617

IUPACN-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCc1ccncc1)CC1CCCN1
InChIInChI=1S/C16H27N3/c1-2-3-12-19(14-16-5-4-9-18-16)13-8-15-6-10-17-11-7-15/h6-7,10-11,16,18H,2-5,8-9,12-14H2,1H3
InChIKeyHXIQJJKEJXUVBH-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds8

About N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106616617) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106616617
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CCc1ccncc1)CC1CCCN1
InChIInChI=1S/C16H27N3/c1-2-3-12-19(14-16-5-4-9-18-16)13-8-15-6-10-17-11-7-15/h6-7,10-11,16,18H,2-5,8-9,12-14H2,1H3
InChIKeyHXIQJJKEJXUVBH-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616829
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106604712
4-[[butyl(pyrrolidin-2-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106616666
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604779
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106616617) is N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CCc1ccncc1)CC1CCCN1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is HXIQJJKEJXUVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-3-12-19(14-16-5-4-9-18-16)13-8-15-6-10-17-11-7-15/h6-7,10-11,16,18H,2-5,8-9,12-14H2,1H3.
What are the key properties of N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106616617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).