N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C16H32N2 — CID 106604972

IUPACN-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)C1CCCC1
InChIInChI=1S/C16H32N2/c1-3-4-12-18(13-16-10-7-11-17-16)14(2)15-8-5-6-9-15/h14-17H,3-13H2,1-2H3
InChIKeyPCVDBTGTXZCRAJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds7

About N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106604972) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106604972
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)C1CCCC1
InChIInChI=1S/C16H32N2/c1-3-4-12-18(13-16-10-7-11-17-16)14(2)15-8-5-6-9-15/h14-17H,3-13H2,1-2H3
InChIKeyPCVDBTGTXZCRAJ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604864
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-[1-(oxolan-3-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603851
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106604972) is N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CC1CCCN1)C(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is PCVDBTGTXZCRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-12-18(13-16-10-7-11-17-16)14(2)15-8-5-6-9-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).