(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane

C16H31N3 — CID 142474587

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane
SMILESC=C(CC)CC.CN(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C10H19N3.C6H12/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-4-6(3)5-2/h7-8H,2-6,11-12H2,1H3;3-5H2,1-2H3/b10-9-;
InChIKeyVUPPKOGGGQYLFF-KVVVOXFISA-N
MW265.44 g/mol
LogP3.53
Rot. Bonds3

About (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane (PubChem CID 142474587) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane
PubChem CID142474587
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane
SMILESC=C(CC)CC.CN(N)/C1=C(\N)CCC2CC2CC1
InChIInChI=1S/C10H19N3.C6H12/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-4-6(3)5-2/h7-8H,2-6,11-12H2,1H3;3-5H2,1-2H3/b10-9-;
InChIKeyVUPPKOGGGQYLFF-KVVVOXFISA-N
XLogP3.53
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4E)-N-(methyldiazenyl)-9-methylidenebicyclo[6.1.0]non-4-en-4-amine
CID 118372149
(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
1-methyl-1-[(1E)-2-methyl-3-(3-methylbut-3-enyl)cycloocten-1-yl]hydrazine
CID 134507086
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;methoxymethane
CID 142601746
(1S,4Z,8R)-5-[amino(2-methylpropyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 145240224
5,10-Dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 146246705
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;methoxymethane
CID 153397858
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine
CID 153397872
(4Z,8S)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 153579649
(4Z)-5-[amino(propan-2-yl)amino]bicyclo[6.1.0]non-4-en-4-amine
CID 155152278
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;N-methylmethanamine
CID 155714672

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane (CID 142474587) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane is C=C(CC)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;3-methylidenepentane?
The InChIKey is VUPPKOGGGQYLFF-KVVVOXFISA-N. The full InChI is InChI=1S/C10H19N3.C6H12/c1-13(12)10-5-3-8-6-7(8)2-4-9(10)11;1-4-6(3)5-2/h7-8H,2-6,11-12H2,1H3;3-5H2,1-2H3/b10-9-;.
What are the key properties of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;3-methylidenepentane has a molecular weight of 265.44 g/mol, XLogP of 3.53, 3 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;3-methylidenepentane is sourced from PubChem (CID 142474587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).