(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane

C12H25N3 — CID 155721371

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
SMILESCC.CN(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C10H19N3.C2H6/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-2/h7-8H,2-6,11-12H2,1H3;1-2H3/b10-9-;
InChIKeyPNENEEDCHDQEHN-KVVVOXFISA-N
MW211.35 g/mol
LogP2.20
Rot. Bonds1

About (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane (PubChem CID 155721371) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
PubChem CID155721371
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
SMILESCC.CN(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C10H19N3.C2H6/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-2/h7-8H,2-6,11-12H2,1H3;1-2H3/b10-9-;
InChIKeyPNENEEDCHDQEHN-KVVVOXFISA-N
XLogP2.20
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.20
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'}

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Related Compounds

(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine;ethane
CID 145278390
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 145278392
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine;ethane
CID 153352608
(1Z)-2-[amino(methyl)amino]-5-ethyl-8,8-difluorocycloocten-1-amine
CID 145278391
(1Z)-2-[amino(methyl)amino]-8,8-difluoro-5-methylcycloocten-1-amine
CID 145278393
(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
(1Z)-2-[amino(methyl)amino]-8,8-dimethylcyclononen-1-amine
CID 130256645
(1S,4Z,8R,9R)-5-[amino(methyl)amino]-9-methylbicyclo[6.1.0]non-4-en-4-amine
CID 132099508
(7R)-6,12,14-trimethyl-12,13,14-triazatricyclo[9.3.0.05,7]tetradec-1(11)-ene
CID 134313188
2-[Amino(ethyl)amino]-7-ethylcyclohepten-1-amine
CID 139470185
2-[Amino(methyl)amino]-7-methylcyclohepten-1-amine
CID 139470196

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane (CID 155721371) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane is CC.CN(N)/C1=C(\N)CCC2CC2CC1.
What is the InChIKey of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
The InChIKey is PNENEEDCHDQEHN-KVVVOXFISA-N. The full InChI is InChI=1S/C10H19N3.C2H6/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-2/h7-8H,2-6,11-12H2,1H3;1-2H3/b10-9-;.
What are the key properties of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane has a molecular weight of 211.35 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane is sourced from PubChem (CID 155721371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).