N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine

C16H34N4 — CID 79924622

IUPACN',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine
SMILESCC1CN2CCCCC2CN1CCNCCCN(C)C
InChIInChI=1S/C16H34N4/c1-15-13-20-11-5-4-7-16(20)14-19(15)12-9-17-8-6-10-18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyHRIFKMMOCHOWRC-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.09
Rot. Bonds7

About N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine (PubChem CID 79924622) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine
PubChem CID79924622
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC NameN',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine
SMILESCC1CN2CCCCC2CN1CCNCCCN(C)C
InChIInChI=1S/C16H34N4/c1-15-13-20-11-5-4-7-16(20)14-19(15)12-9-17-8-6-10-18(2)3/h15-17H,4-14H2,1-3H3
InChIKeyHRIFKMMOCHOWRC-UHFFFAOYSA-N
XLogP1.09
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine (CID 79924622) is N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine is CC1CN2CCCCC2CN1CCNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine?
The InChIKey is HRIFKMMOCHOWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-15-13-20-11-5-4-7-16(20)14-19(15)12-9-17-8-6-10-18(2)3/h15-17H,4-14H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine has a molecular weight of 282.48 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79924622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).