1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

C18H33N3 — CID 79496754

IUPAC1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCC1CCCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C18H33N3/c1-2-15-8-7-12-18(13-11-15)14-20-17(19)21(18)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20)
InChIKeyACTQTRMFVPEELJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.07
Rot. Bonds2

About 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine

1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79496754) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
PubChem CID79496754
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
SMILESCCC1CCCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C18H33N3/c1-2-15-8-7-12-18(13-11-15)14-20-17(19)21(18)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20)
InChIKeyACTQTRMFVPEELJ-UHFFFAOYSA-N
XLogP4.07
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine (CID 79496754) is 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is CCC1CCCC2(CC1)CN=C(N)N2C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is ACTQTRMFVPEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-2-15-8-7-12-18(13-11-15)14-20-17(19)21(18)16-9-5-3-4-6-10-16/h15-16H,2-14H2,1H3,(H2,19,20).
What are the key properties of 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine?
1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8-ethyl-1,3-diazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79496754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).