1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

C17H32N4 — CID 79496898

IUPAC1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C17H32N4/c1-2-11-20-12-9-17(10-13-20)14-19-16(18)21(17)15-7-5-3-4-6-8-15/h15H,2-14H2,1H3,(H2,18,19)
InChIKeyBNNIDONPHGJGHK-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.58
Rot. Bonds3

About 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine

1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79496898) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79496898
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCCCN1CCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C17H32N4/c1-2-11-20-12-9-17(10-13-20)14-19-16(18)21(17)15-7-5-3-4-6-8-15/h15H,2-14H2,1H3,(H2,18,19)
InChIKeyBNNIDONPHGJGHK-UHFFFAOYSA-N
XLogP2.58
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-Hexylpiperidin-4-yl)methyl]-4,5,5-trimethyl-4-(2-methylpropyl)imidazol-2-amine
CID 89155198
2-(N'-ethylcarbamimidoyl)-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1-propylguanidine
CID 124030467
1-Butyl-2-methyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)guanidine
CID 143264327
1-[2-(Dimethylamino)ethyl]-8-propyl-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79496731
1-(2-Methylpropyl)-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496780
1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79496867
1-Cycloheptyl-8-methyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496927
8-Methyl-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497104
1-cycloheptyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79497290
8'-methyl-1-(2-methylpropyl)spiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79497314
1-(2-Methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497495
1-Cycloheptyl-8-ethyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497516

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79496898) is 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CCCN1CCC2(CC1)CN=C(N)N2C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is BNNIDONPHGJGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-2-11-20-12-9-17(10-13-20)14-19-16(18)21(17)15-7-5-3-4-6-8-15/h15H,2-14H2,1H3,(H2,18,19).
What are the key properties of 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79496898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).