N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine

C15H26N2 — CID 112681260

IUPACN-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCC)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H26N2/c1-4-6-7-15(16-5-2)12-10-13-8-9-14(11-12)17(13)3/h1,12-16H,5-11H2,2-3H3
InChIKeyPSGQEUHSXBRXKC-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.25
Rot. Bonds5

About N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine

N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine (PubChem CID 112681260) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine
PubChem CID112681260
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine
SMILESC#CCCC(NCC)C1CC2CCC(C1)N2C
InChIInChI=1S/C15H26N2/c1-4-6-7-15(16-5-2)12-10-13-8-9-14(11-12)17(13)3/h1,12-16H,5-11H2,2-3H3
InChIKeyPSGQEUHSXBRXKC-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine?
The IUPAC name of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine (CID 112681260) is N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine?
The canonical SMILES for N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine is C#CCCC(NCC)C1CC2CCC(C1)N2C.
What is the InChIKey of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine?
The InChIKey is PSGQEUHSXBRXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-7-15(16-5-2)12-10-13-8-9-14(11-12)17(13)3/h1,12-16H,5-11H2,2-3H3.
What are the key properties of N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine?
N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine has a molecular weight of 234.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-yn-1-amine is sourced from PubChem (CID 112681260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).