N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine

C15H30N2 — CID 79179723

IUPACN,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
SMILESC=C(C)C(NCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-6-15(7-2,17-11-9-10-12-17)14(13(4)5)16-8-3/h14,16H,4,6-12H2,1-3,5H3
InChIKeyZUAMZWXCWKOJPO-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.20
Rot. Bonds7

About N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine

N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine (PubChem CID 79179723) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine.

Molecular Properties

Compound NameN,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
PubChem CID79179723
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
SMILESC=C(C)C(NCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C15H30N2/c1-6-15(7-2,17-11-9-10-12-17)14(13(4)5)16-8-3/h14,16H,4,6-12H2,1-3,5H3
InChIKeyZUAMZWXCWKOJPO-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,4-dimethyl-4-piperidin-1-ylhex-1-en-3-amine
CID 79179721
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230
N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 107896656
2-(azepan-1-yl)-N-ethyl-2,5-dimethylhex-5-en-3-amine
CID 79185094
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
CID 79068000
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79057396
N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79068315
N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 107136588
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-ylhex-4-en-3-amine
CID 79177314

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine?
The IUPAC name of N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine (CID 79179723) is N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine.
What is the SMILES notation for N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine?
The canonical SMILES for N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine is C=C(C)C(NCC)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine?
The InChIKey is ZUAMZWXCWKOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-15(7-2,17-11-9-10-12-17)14(13(4)5)16-8-3/h14,16H,4,6-12H2,1-3,5H3.
What are the key properties of N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine?
N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine is sourced from PubChem (CID 79179723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).