(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine

C17H32N4 — CID 155431783

IUPAC(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine
SMILESCC/N=C/CN(C)/C1=C/CCCCNC(C)(C)/C=N/CC1
InChIInChI=1S/C17H32N4/c1-5-18-13-14-21(4)16-9-7-6-8-11-20-17(2,3)15-19-12-10-16/h9,13,15,20H,5-8,10-12,14H2,1-4H3/b16-9+,18-13+,19-15+
InChIKeyHSBOEHMDQSVEKM-IMUIZJOESA-N
MW292.47 g/mol
LogP2.91
Rot. Bonds4

About (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine

(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine (PubChem CID 155431783) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine.

Molecular Properties

Compound Name(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine
PubChem CID155431783
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine
SMILESCC/N=C/CN(C)/C1=C/CCCCNC(C)(C)/C=N/CC1
InChIInChI=1S/C17H32N4/c1-5-18-13-14-21(4)16-9-7-6-8-11-20-17(2,3)15-19-12-10-16/h9,13,15,20H,5-8,10-12,14H2,1-4H3/b16-9+,18-13+,19-15+
InChIKeyHSBOEHMDQSVEKM-IMUIZJOESA-N
XLogP2.91
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine?
The IUPAC name of (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine (CID 155431783) is (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine.
What is the SMILES notation for (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine?
The canonical SMILES for (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine is CC/N=C/CN(C)/C1=C/CCCCNC(C)(C)/C=N/CC1.
What is the InChIKey of (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine?
The InChIKey is HSBOEHMDQSVEKM-IMUIZJOESA-N. The full InChI is InChI=1S/C17H32N4/c1-5-18-13-14-21(4)16-9-7-6-8-11-20-17(2,3)15-19-12-10-16/h9,13,15,20H,5-8,10-12,14H2,1-4H3/b16-9+,18-13+,19-15+.
What are the key properties of (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine?
(7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine has a molecular weight of 292.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-N-(2-ethyliminoethyl)-N,2,2-trimethyl-1,4-diazacyclododeca-3,7-dien-7-amine is sourced from PubChem (CID 155431783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).