N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

C17H34N2 — CID 79068083

IUPACN,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(NCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H34N2/c1-6-15(5)14-16(18-9-4)17(7-2,8-3)19-12-10-11-13-19/h16,18H,5-14H2,1-4H3
InChIKeySOEUSUBAJDVDRQ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.98
Rot. Bonds9

About N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine

N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 79068083) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound NameN,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
PubChem CID79068083
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine
SMILESC=C(CC)CC(NCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H34N2/c1-6-15(5)14-16(18-9-4)17(7-2,8-3)19-12-10-11-13-19/h16,18H,5-14H2,1-4H3
InChIKeySOEUSUBAJDVDRQ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine (CID 79068083) is N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is C=C(CC)CC(NCC)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is SOEUSUBAJDVDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-6-15(5)14-16(18-9-4)17(7-2,8-3)19-12-10-11-13-19/h16,18H,5-14H2,1-4H3.
What are the key properties of N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine?
N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-6-methylidene-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 79068083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).