1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine

C6H10BrN3 — CID 143975408

IUPAC1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine
SMILESC=N/C=C(Br)\C=N/CNC
InChIInChI=1S/C6H10BrN3/c1-8-3-6(7)4-10-5-9-2/h3-4,9H,1,5H2,2H3/b6-3+,10-4-
InChIKeyDTYKCKLSBFCNTL-VGOWQSKISA-N
MW204.07 g/mol
LogP1.17
Rot. Bonds4

About 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine

1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine (PubChem CID 143975408) has the molecular formula C6H10BrN3 and a molecular weight of 204.07 g/mol. Its IUPAC name is 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine
PubChem CID143975408
Molecular FormulaC6H10BrN3
Molecular Weight204.07 g/mol
Exact Mass203.01
IUPAC Name1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine
SMILESC=N/C=C(Br)\C=N/CNC
InChIInChI=1S/C6H10BrN3/c1-8-3-6(7)4-10-5-9-2/h3-4,9H,1,5H2,2H3/b6-3+,10-4-
InChIKeyDTYKCKLSBFCNTL-VGOWQSKISA-N
XLogP1.17
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine?
The IUPAC name of 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine (CID 143975408) is 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine is C=N/C=C(Br)\C=N/CNC.
What is the InChIKey of 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine?
The InChIKey is DTYKCKLSBFCNTL-VGOWQSKISA-N. The full InChI is InChI=1S/C6H10BrN3/c1-8-3-6(7)4-10-5-9-2/h3-4,9H,1,5H2,2H3/b6-3+,10-4-.
What are the key properties of 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine?
1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine has a molecular weight of 204.07 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(E)-2-bromo-3-(methylideneamino)prop-2-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 143975408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).