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

C11H24N2 — CID 43207839

IUPACN-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNCC(C(C)C)N1CCCC1
InChIInChI=1S/C11H24N2/c1-4-12-9-11(10(2)3)13-7-5-6-8-13/h10-12H,4-9H2,1-3H3
InChIKeyPYONATGJEPSIOL-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds5

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

N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 43207839) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID43207839
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCNCC(C(C)C)N1CCCC1
InChIInChI=1S/C11H24N2/c1-4-12-9-11(10(2)3)13-7-5-6-8-13/h10-12H,4-9H2,1-3H3
InChIKeyPYONATGJEPSIOL-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007428
3-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207801
2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
CID 62411228
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 107456328
N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
CID 43771611
(2R)-2-(azepan-1-yl)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-methylbutan-1-amine
CID 99780884
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 54883565
N-(3-methyl-2-pyrrolidin-1-ylbutyl)nonan-2-amine
CID 43130097
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 51624584
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butan-1-amine
CID 60761134

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 43207839) is N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCNCC(C(C)C)N1CCCC1.
What is the InChIKey of N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is PYONATGJEPSIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-12-9-11(10(2)3)13-7-5-6-8-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 43207839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).