(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane

C15H31N3 — CID 145240224

IUPAC(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
SMILESCC.CC(C)CN(N)/C1=C(\N)CC[C@H]2C[C@H]2CC1
InChIInChI=1S/C13H25N3.C2H6/c1-9(2)8-16(15)13-6-4-11-7-10(11)3-5-12(13)14;1-2/h9-11H,3-8,14-15H2,1-2H3;1-2H3/b13-12-;/t10-,11+;/m0./s1
InChIKeyFWIWKRBPPGBIML-CSWWTAAYSA-N
MW253.43 g/mol
LogP3.22
Rot. Bonds3

About (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane

(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane (PubChem CID 145240224) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane.

Molecular Properties

Compound Name(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
PubChem CID145240224
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
SMILESCC.CC(C)CN(N)/C1=C(\N)CC[C@H]2C[C@H]2CC1
InChIInChI=1S/C13H25N3.C2H6/c1-9(2)8-16(15)13-6-4-11-7-10(11)3-5-12(13)14;1-2/h9-11H,3-8,14-15H2,1-2H3;1-2H3/b13-12-;/t10-,11+;/m0./s1
InChIKeyFWIWKRBPPGBIML-CSWWTAAYSA-N
XLogP3.22
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane with MolForge

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Related Compounds

(1R,4Z,8S,9R)-5-[amino(2,2-dimethylpropyl)amino]-9-(nitrosomethyl)bicyclo[6.1.0]non-4-en-4-amine
CID 126541883
(4Z)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 126707591
(1S,4Z,8R,9R)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 132099508
2-[Amino(ethyl)amino]-7-methylcyclohepten-1-amine
CID 139470160
2-[Amino(ethyl)amino]-7-ethylcyclohepten-1-amine
CID 139470185
2-[Amino(methyl)amino]-7-ethylcyclohepten-1-amine
CID 139470215
(4Z)-5-hydrazinyl-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 139480805
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane
CID 142474587
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
CID 142601746
(1Z)-2-[amino(methyl)amino]-8-methylcycloocten-1-amine;ethane
CID 145278417
5,10-Dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 146246705
2-[Amino(methyl)amino]-8-methylcycloocten-1-amine
CID 152807961

Frequently Asked Questions

What is the IUPAC name of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
The IUPAC name of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane (CID 145240224) is (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane.
What is the SMILES notation for (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
The canonical SMILES for (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane is CC.CC(C)CN(N)/C1=C(\N)CC[C@H]2C[C@H]2CC1.
What is the InChIKey of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
The InChIKey is FWIWKRBPPGBIML-CSWWTAAYSA-N. The full InChI is InChI=1S/C13H25N3.C2H6/c1-9(2)8-16(15)13-6-4-11-7-10(11)3-5-12(13)14;1-2/h9-11H,3-8,14-15H2,1-2H3;1-2H3/b13-12-;/t10-,11+;/m0./s1.
What are the key properties of (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane has a molecular weight of 253.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane is sourced from PubChem (CID 145240224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).