N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine

C6H12N2 — CID 5363010

IUPACN-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine
SMILESC=C/C(C)=N/N(C)C
InChIInChI=1S/C6H12N2/c1-5-6(2)7-8(3)4/h5H,1H2,2-4H3/b7-6+
InChIKeyHSRMJXCMRYJBLN-VOTSOKGWSA-N
MW112.18 g/mol
LogP1.11
Rot. Bonds2

About N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine

N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine (PubChem CID 5363010) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine
PubChem CID5363010
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine
SMILESC=C/C(C)=N/N(C)C
InChIInChI=1S/C6H12N2/c1-5-6(2)7-8(3)4/h5H,1H2,2-4H3/b7-6+
InChIKeyHSRMJXCMRYJBLN-VOTSOKGWSA-N
XLogP1.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine (CID 5363010) is N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine is C=C/C(C)=N/N(C)C.
What is the InChIKey of N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine?
The InChIKey is HSRMJXCMRYJBLN-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-6(2)7-8(3)4/h5H,1H2,2-4H3/b7-6+.
What are the key properties of N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine?
N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine has a molecular weight of 112.18 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-3-en-2-ylideneamino]-N-methylmethanamine is sourced from PubChem (CID 5363010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).