1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

C16H30N4 — CID 79498589

IUPAC1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCN1CCCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C16H30N4/c1-19-11-6-9-16(10-12-19)13-18-15(17)20(16)14-7-4-2-3-5-8-14/h14H,2-13H2,1H3,(H2,17,18)
InChIKeyYRJYANCRMWELTA-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.19
Rot. Bonds1

About 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine

1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (PubChem CID 79498589) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
PubChem CID79498589
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
SMILESCN1CCCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C16H30N4/c1-19-11-6-9-16(10-12-19)13-18-15(17)20(16)14-7-4-2-3-5-8-14/h14H,2-13H2,1H3,(H2,17,18)
InChIKeyYRJYANCRMWELTA-UHFFFAOYSA-N
XLogP2.19
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine (CID 79498589) is 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is CN1CCCC2(CC1)CN=C(N)N2C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
The InChIKey is YRJYANCRMWELTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-19-11-6-9-16(10-12-19)13-18-15(17)20(16)14-7-4-2-3-5-8-14/h14H,2-13H2,1H3,(H2,17,18).
What are the key properties of 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine?
1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine has a molecular weight of 278.44 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine is sourced from PubChem (CID 79498589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).