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

C14H32N4 — CID 153397872

IUPAC(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine
SMILESCC.CN(N)/C1=C(\N)CCC2CC2CC1.CNC
InChIInChI=1S/C10H19N3.C2H7N.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;3H,1-2H3;1-2H3/b10-9-;;
InChIKeyTUEMRZVUJXDVPW-XXAVUKJNSA-N
MW256.44 g/mol
LogP2.03
Rot. Bonds1

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

(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine (PubChem CID 153397872) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine.

Molecular Properties

Compound Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine
PubChem CID153397872
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine
SMILESCC.CN(N)/C1=C(\N)CCC2CC2CC1.CNC
InChIInChI=1S/C10H19N3.C2H7N.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;3H,1-2H3;1-2H3/b10-9-;;
InChIKeyTUEMRZVUJXDVPW-XXAVUKJNSA-N
XLogP2.03
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.03
H-Bond Donors ≤ 53
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

(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
(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
(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,8S)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane
CID 153579649
(4Z)-4-N,5-N-dimethylbicyclo[6.1.0]non-4-ene-4,5-diamine
CID 154931613
(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
(4Z)-5-N,5-N-diaminobicyclo[6.1.0]non-4-ene-4,5-diamine
CID 155721302

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine?
The IUPAC name of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine (CID 153397872) is (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine.
What is the SMILES notation for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine?
The canonical SMILES for (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine is CC.CN(N)/C1=C(\N)CCC2CC2CC1.CNC.
What is the InChIKey of (4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine?
The InChIKey is TUEMRZVUJXDVPW-XXAVUKJNSA-N. The full InChI is InChI=1S/C10H19N3.C2H7N.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;3H,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;N-methylmethanamine?
(4Z)-5-[amino(methyl)amino]bicyclo[6.1.0]non-4-en-4-amine;ethane;N-methylmethanamine has a molecular weight of 256.44 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 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;N-methylmethanamine is sourced from PubChem (CID 153397872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).