1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

C16H32N2 — CID 79056065

IUPAC1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(CC1CCCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H32N2/c1-4-17-15(13-14-9-5-6-10-14)16(2,3)18-11-7-8-12-18/h14-15,17H,4-13H2,1-3H3
InChIKeyGFYJJIPFQZIQRV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine

1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79056065) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79056065
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCNC(CC1CCCC1)C(C)(C)N1CCCC1
InChIInChI=1S/C16H32N2/c1-4-17-15(13-14-9-5-6-10-14)16(2,3)18-11-7-8-12-18/h14-15,17H,4-13H2,1-3H3
InChIKeyGFYJJIPFQZIQRV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-ethyl-3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79056741
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
1-cyclopentyl-N,3-dimethyl-3-piperidin-1-ylbutan-2-amine
CID 79045410
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
3-(azepan-1-yl)-1-cyclobutyl-N,3-dimethylbutan-2-amine
CID 79050954
(1-cyclopropyl-3-methyl-3-piperidin-1-ylbutan-2-yl)hydrazine
CID 105239761
[3-(azepan-1-yl)-1-cyclobutyl-3-methylbutan-2-yl]hydrazine
CID 105240360
N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79575382
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910
N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine
CID 79574572
N,5-diethyl-2-methyl-2-piperidin-1-ylheptan-3-amine
CID 82922639
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79056065) is 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is CCNC(CC1CCCC1)C(C)(C)N1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is GFYJJIPFQZIQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-17-15(13-14-9-5-6-10-14)16(2,3)18-11-7-8-12-18/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine?
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).