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

C14H31N3O — CID 153397858

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane
SMILESCC.CN(N)/C1=C(\N)CCC2CC2CC1.COC
InChIInChI=1S/C10H19N3.C2H6O.C2H6/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-3-2;1-2/h7-8H,2-6,11-12H2,1H3;1-2H3;1-2H3/b10-9-;;
InChIKeyWYDWVTJHTGEHAX-XXAVUKJNSA-N
MW257.42 g/mol
LogP2.46
Rot. Bonds1

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

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane (PubChem CID 153397858) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane
PubChem CID153397858
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane
SMILESCC.CN(N)/C1=C(\N)CCC2CC2CC1.COC
InChIInChI=1S/C10H19N3.C2H6O.C2H6/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-3-2;1-2/h7-8H,2-6,11-12H2,1H3;1-2H3;1-2H3/b10-9-;;
InChIKeyWYDWVTJHTGEHAX-XXAVUKJNSA-N
XLogP2.46
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]cycloocten-1-amine;ethane
CID 163386087
(1S,8R)-bicyclo[6.1.0]nonane-4,5-dione
CID 14201809
2,3-dimethylbicyclo[2.2.1]heptane;methoxymethane
CID 123361313
7-(methoxymethylidene)-3-[4-(methoxymethylidene)cyclohexyl]-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 77387590
bicyclo[2.2.1]heptane;ethane;methoxymethane
CID 144913122
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
1-(3-methoxy-2-methylcyclohepta-1,3-dien-1-yl)-1-methylhydrazine
CID 129262877
10-methyl-11-propan-2-yl-10,11-diazatricyclo[7.2.0.04,6]undec-1(9)-ene
CID 166966668
1-methoxy-3-(3-methoxycyclohexyl)cyclohexane
CID 140718848
bicyclo[2.1.0]pentane;2-methylpropanoic acid
CID 174730987
methyl (1S,2R,5S,6R)-4-methyltricyclo[4.2.1.02,5]non-3-ene-3-carboxylate
CID 102176632

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane (CID 153397858) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane is CC.CN(N)/C1=C(\N)CCC2CC2CC1.COC.
What is the InChIKey of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane?
The InChIKey is WYDWVTJHTGEHAX-XXAVUKJNSA-N. The full InChI is InChI=1S/C10H19N3.C2H6O.C2H6/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-3-2;1-2/h7-8H,2-6,11-12H2,1H3;1-2H3;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;methoxymethane?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane has a molecular weight of 257.42 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 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;methoxymethane is sourced from PubChem (CID 153397858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).