N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine

C17H36N2 — CID 107896656

IUPACN,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCCC(C)C(NCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H36N2/c1-6-12-15(5)16(18-9-4)17(7-2,8-3)19-13-10-11-14-19/h15-16,18H,6-14H2,1-5H3
InChIKeyOPWMCCFSSQQGRW-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds9

About N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine

N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine (PubChem CID 107896656) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine.

Molecular Properties

Compound NameN,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
PubChem CID107896656
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine
SMILESCCCC(C)C(NCC)C(CC)(CC)N1CCCC1
InChIInChI=1S/C17H36N2/c1-6-12-15(5)16(18-9-4)17(7-2,8-3)19-13-10-11-14-19/h15-16,18H,6-14H2,1-5H3
InChIKeyOPWMCCFSSQQGRW-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N,2-dimethyl-4-pyrrolidin-1-ylhexan-3-amine
CID 79068000
3-ethyl-N,7-dimethyl-3-pyrrolidin-1-yloctan-4-amine
CID 79067196
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
N,4-diethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179723
2,4-dimethyl-2-pyrrolidin-1-ylheptan-3-ol
CID 107892960
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230
N-ethyl-3-methoxy-3,5-dimethyloctan-4-amine
CID 107896897
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
CID 79055735
N-ethyl-2-methoxy-2,4-dimethylheptan-3-amine
CID 107893649
N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
3-ethyl-3-pyrrolidin-1-ylnonan-4-amine
CID 79068146
3-ethyl-3-pyrrolidin-1-yldecan-4-ol
CID 79068138

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine?
The IUPAC name of N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine (CID 107896656) is N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine.
What is the SMILES notation for N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine?
The canonical SMILES for N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine is CCCC(C)C(NCC)C(CC)(CC)N1CCCC1.
What is the InChIKey of N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine?
The InChIKey is OPWMCCFSSQQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-12-15(5)16(18-9-4)17(7-2,8-3)19-13-10-11-14-19/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine?
N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-5-methyl-3-pyrrolidin-1-yloctan-4-amine is sourced from PubChem (CID 107896656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).