1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C16H32N4 — CID 79496731

IUPAC1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCCC1CCCC2(CC1)CN=C(N)N2CCN(C)C
InChIInChI=1S/C16H32N4/c1-4-6-14-7-5-9-16(10-8-14)13-18-15(17)20(16)12-11-19(2)3/h14H,4-13H2,1-3H3,(H2,17,18)
InChIKeyQUVSIYUEEAAWHW-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79496731) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79496731
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCCC1CCCC2(CC1)CN=C(N)N2CCN(C)C
InChIInChI=1S/C16H32N4/c1-4-6-14-7-5-9-16(10-8-14)13-18-15(17)20(16)12-11-19(2)3/h14H,4-13H2,1-3H3,(H2,17,18)
InChIKeyQUVSIYUEEAAWHW-UHFFFAOYSA-N
XLogP2.30
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79496731) is 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is CCCC1CCCC2(CC1)CN=C(N)N2CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is QUVSIYUEEAAWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-4-6-14-7-5-9-16(10-8-14)13-18-15(17)20(16)12-11-19(2)3/h14H,4-13H2,1-3H3,(H2,17,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 280.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79496731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).