N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine

C16H34N2 — CID 79055735

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

About N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine

N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine (PubChem CID 79055735) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
PubChem CID79055735
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine
SMILESCCCC(C)CC(NCC)C(C)(C)N1CCCC1
InChIInChI=1S/C16H34N2/c1-6-10-14(3)13-15(17-7-2)16(4,5)18-11-8-9-12-18/h14-15,17H,6-13H2,1-5H3
InChIKeyPGCRLOZOPKHTLX-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

2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
N,2,5-trimethyl-2-piperidin-1-yloctan-3-amine
CID 79045179
N,5-diethyl-2-methyl-2-piperidin-1-ylheptan-3-amine
CID 82922639
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
N-ethyl-1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79575382
N-ethyl-3-methyl-3-piperidin-1-yl-1-propan-2-yloxybutan-2-amine
CID 79574572
N-ethyl-2-methyl-2-pyrrolidin-1-yloct-7-en-3-amine
CID 79056072
N-ethyl-6-methoxy-2-methyl-2-pyrrolidin-1-ylhexan-3-amine
CID 114856186
N-ethyl-3-methyl-3-piperidin-1-yl-1-propoxybutan-2-amine
CID 79574688
3-(azepan-1-yl)-1-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 79574923
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056065
2-(azepan-1-yl)-N-ethyl-2-methyloct-6-yn-3-amine
CID 104806402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine (CID 79055735) is N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine is CCCC(C)CC(NCC)C(C)(C)N1CCCC1.
What is the InChIKey of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine?
The InChIKey is PGCRLOZOPKHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-10-14(3)13-15(17-7-2)16(4,5)18-11-8-9-12-18/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine?
N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-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 N-ethyl-2,5-dimethyl-2-pyrrolidin-1-yloctan-3-amine is sourced from PubChem (CID 79055735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).