3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine

C16H34N2 — CID 79067196

IUPAC3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCC(CC)(C(CCC(C)C)NC)N1CCCC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2,18-12-8-9-13-18)15(17-5)11-10-14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyFRAFHWMPKQXDEY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine

3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 79067196) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound Name3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
PubChem CID79067196
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCC(CC)(C(CCC(C)C)NC)N1CCCC1
InChIInChI=1S/C16H34N2/c1-6-16(7-2,18-12-8-9-13-18)15(17-5)11-10-14(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyFRAFHWMPKQXDEY-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
3-ethyl-7-methoxy-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 103035851
1-cyclobutyl-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79067520
4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
CID 79068000
N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 107896656
2-(azepan-1-yl)-N,2,7-trimethyloctan-3-amine
CID 83161902
N,2,7-trimethyl-2-piperidin-1-yloctan-3-amine
CID 83161164
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230
(3,8-dimethyl-3-piperidin-1-ylnonan-4-yl)hydrazine
CID 105241424
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79057135
N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
CID 79045179

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine (CID 79067196) is 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine is CCC(CC)(C(CCC(C)C)NC)N1CCCC1.
What is the InChIKey of 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is FRAFHWMPKQXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-16(7-2,18-12-8-9-13-18)15(17-5)11-10-14(3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine?
3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 79067196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).