1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine

C16H28N4 — CID 105366337

IUPAC1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCN3CCC2C3)N1C1CCCCCC1
InChIInChI=1S/C16H28N4/c17-15-18-12-16(8-10-19-9-7-13(16)11-19)20(15)14-5-3-1-2-4-6-14/h13-14H,1-12H2,(H2,17,18)
InChIKeyHWHCEIKCCXOVLR-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.80
Rot. Bonds1

About 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine

1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine (PubChem CID 105366337) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound Name1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
PubChem CID105366337
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine
SMILESNC1=NCC2(CCN3CCC2C3)N1C1CCCCCC1
InChIInChI=1S/C16H28N4/c17-15-18-12-16(8-10-19-9-7-13(16)11-19)20(15)14-5-3-1-2-4-6-14/h13-14H,1-12H2,(H2,17,18)
InChIKeyHWHCEIKCCXOVLR-UHFFFAOYSA-N
XLogP1.80
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79496867
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-Cycloheptyl-9-methyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498589
8'-methyl-1-propan-2-ylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79498900
1-[2-(diethylamino)ethyl]-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79502460
8'-methyl-1-propylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79509961
1,8'-dimethylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79510593
1-ethyl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79510730
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79514662
1-(cyclopropylmethyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79521583
1'-cycloheptylspiro[2,3,5,6,8,8a-hexahydro-1H-indolizine-7,5'-4H-imidazole]-2'-amine
CID 81608064

Frequently Asked Questions

What is the IUPAC name of 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
The IUPAC name of 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine (CID 105366337) is 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
The canonical SMILES for 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine is NC1=NCC2(CCN3CCC2C3)N1C1CCCCCC1.
What is the InChIKey of 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
The InChIKey is HWHCEIKCCXOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c17-15-18-12-16(8-10-19-9-7-13(16)11-19)20(15)14-5-3-1-2-4-6-14/h13-14H,1-12H2,(H2,17,18).
What are the key properties of 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine?
1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine has a molecular weight of 276.43 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cycloheptylspiro[1-azabicyclo[3.2.1]octane-4,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 105366337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).