(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine

C12H17N3 — CID 142229405

IUPAC(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine
SMILESC=C/C=C1/N=C(C)N=C(N(C)C)CC1=C
InChIInChI=1S/C12H17N3/c1-6-7-11-9(2)8-12(15(4)5)14-10(3)13-11/h6-7H,1-2,8H2,3-5H3/b11-7+
InChIKeyKTQRMNRYXRHIMT-YRNVUSSQSA-N
MW203.29 g/mol
LogP2.39
Rot. Bonds1

About (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine

(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine (PubChem CID 142229405) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine.

Molecular Properties

Compound Name(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine
PubChem CID142229405
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine
SMILESC=C/C=C1/N=C(C)N=C(N(C)C)CC1=C
InChIInChI=1S/C12H17N3/c1-6-7-11-9(2)8-12(15(4)5)14-10(3)13-11/h6-7H,1-2,8H2,3-5H3/b11-7+
InChIKeyKTQRMNRYXRHIMT-YRNVUSSQSA-N
XLogP2.39
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
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N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
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N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
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N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
1,7-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-b]azepine;ethane
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N,N,2-trimethyl-6H-cyclohepta[d]pyrimidin-4-amine
CID 142228197
(5Z)-5-[(Z)-but-2-enylidene]-4-ethenyl-N,N,2-trimethyl-4,6-dihydro-1,3-diazepin-7-amine
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Frequently Asked Questions

What is the IUPAC name of (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine?
The IUPAC name of (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine (CID 142229405) is (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine.
What is the SMILES notation for (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine?
The canonical SMILES for (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine is C=C/C=C1/N=C(C)N=C(N(C)C)CC1=C.
What is the InChIKey of (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine?
The InChIKey is KTQRMNRYXRHIMT-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H17N3/c1-6-7-11-9(2)8-12(15(4)5)14-10(3)13-11/h6-7H,1-2,8H2,3-5H3/b11-7+.
What are the key properties of (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine?
(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine is sourced from PubChem (CID 142229405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).