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

C17H32N4 — CID 79498945

IUPAC1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)N1CCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C17H32N4/c1-14(2)20-11-9-17(10-12-20)13-19-16(18)21(17)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3,(H2,18,19)
InChIKeyRHARMMCIBXMPMX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.58
Rot. Bonds2

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

1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (PubChem CID 79498945) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
PubChem CID79498945
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
SMILESCC(C)N1CCC2(CC1)CN=C(N)N2C1CCCCCC1
InChIInChI=1S/C17H32N4/c1-14(2)20-11-9-17(10-12-20)13-19-16(18)21(17)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3,(H2,18,19)
InChIKeyRHARMMCIBXMPMX-UHFFFAOYSA-N
XLogP2.58
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

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Related Compounds

1-cycloheptyl-8-propyl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79496898
1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
CID 79509216
1-cycloheptyl-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497715
1-cyclopentyl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79520778
1-cyclopentyl-8-propyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521648
1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497495
1-cyclopentyl-8-ethyl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520870
1-cyclopentyl-7-methyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79521132
1-cyclopentyl-7,7-dioxo-7λ6-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79520591
1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79514056
7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79497621
1-cyclopentyl-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
CID 79521031

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The IUPAC name of 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine (CID 79498945) is 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine.
What is the SMILES notation for 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The canonical SMILES for 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is CC(C)N1CCC2(CC1)CN=C(N)N2C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
The InChIKey is RHARMMCIBXMPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(2)20-11-9-17(10-12-20)13-19-16(18)21(17)15-7-5-3-4-6-8-15/h14-15H,3-13H2,1-2H3,(H2,18,19).
What are the key properties of 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine?
1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine is sourced from PubChem (CID 79498945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).