(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine

C7H14N2 — CID 59959971

IUPAC(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(C)=C/N(C)C
InChIInChI=1S/C7H14N2/c1-7(5-8-2)6-9(3)4/h5-6H,1-4H3/b7-6+,8-5+
InChIKeySASODRGQMPPZRN-ZCOYIIAOSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds2

About (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine

(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine (PubChem CID 59959971) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
PubChem CID59959971
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(C)=C/N(C)C
InChIInChI=1S/C7H14N2/c1-7(5-8-2)6-9(3)4/h5-6H,1-4H3/b7-6+,8-5+
InChIKeySASODRGQMPPZRN-ZCOYIIAOSA-N
XLogP1.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine (CID 59959971) is (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine is C/N=C/C(C)=C/N(C)C.
What is the InChIKey of (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine?
The InChIKey is SASODRGQMPPZRN-ZCOYIIAOSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(5-8-2)6-9(3)4/h5-6H,1-4H3/b7-6+,8-5+.
What are the key properties of (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine?
(E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethyl-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 59959971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).