7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

C12H22N4 — CID 79497621

IUPAC7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCN(C1CC1)C2
InChIInChI=1S/C12H22N4/c1-9(2)16-11(13)14-7-12(16)5-6-15(8-12)10-3-4-10/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyWWOBSQIVDBKOQB-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.63
Rot. Bonds2

About 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine

7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (PubChem CID 79497621) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.

Molecular Properties

Compound Name7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
PubChem CID79497621
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
SMILESCC(C)N1C(N)=NCC12CCN(C1CC1)C2
InChIInChI=1S/C12H22N4/c1-9(2)16-11(13)14-7-12(16)5-6-15(8-12)10-3-4-10/h9-10H,3-8H2,1-2H3,(H2,13,14)
InChIKeyWWOBSQIVDBKOQB-UHFFFAOYSA-N
XLogP0.63
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-7-cyclopropyl-1,3,7-triazaspiro[4.4]non-2-en-2-amine
CID 79500976
9-ethyl-1-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498392
1-propan-2-yl-9-propyl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79498008
1-cycloheptyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79498945
7-ethyl-7-methyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79497807
1-butan-2-yl-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79514662
9-methyl-1-propan-2-yl-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498909
5-cyclohexyl-5-methyl-1-propan-2-yl-4H-imidazol-2-amine
CID 79510561
1-butan-2-yl-9-propan-2-yl-1,3,9-triazaspiro[4.6]undec-2-en-2-amine
CID 79514056
1-butan-2-yl-8-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79514290
1-(2-methylpropyl)-8-propan-2-yl-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79497495
1-cyclopropyl-1,3-diazaspiro[4.11]hexadec-2-en-2-amine
CID 79509216

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The IUPAC name of 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine (CID 79497621) is 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine.
What is the SMILES notation for 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The canonical SMILES for 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is CC(C)N1C(N)=NCC12CCN(C1CC1)C2.
What is the InChIKey of 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
The InChIKey is WWOBSQIVDBKOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-11(13)14-7-12(16)5-6-15(8-12)10-3-4-10/h9-10H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine?
7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-propan-2-yl-1,3,7-triazaspiro[4.4]non-2-en-2-amine is sourced from PubChem (CID 79497621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).