N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine

C11H21N3 — CID 123781711

IUPACN-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
SMILES[H]/N=C1/C=CC(CNCCNCC)CC1
InChIInChI=1S/C11H21N3/c1-2-13-7-8-14-9-10-3-5-11(12)6-4-10/h3,5,10,12-14H,2,4,6-9H2,1H3/b12-11-
InChIKeyRSPQMDAMHQAHRE-QXMHVHEDSA-N
MW195.31 g/mol
LogP1.17
Rot. Bonds6

About N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine

N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine (PubChem CID 123781711) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
PubChem CID123781711
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine
SMILES[H]/N=C1/C=CC(CNCCNCC)CC1
InChIInChI=1S/C11H21N3/c1-2-13-7-8-14-9-10-3-5-11(12)6-4-10/h3,5,10,12-14H,2,4,6-9H2,1H3/b12-11-
InChIKeyRSPQMDAMHQAHRE-QXMHVHEDSA-N
XLogP1.17
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine
CID 121442676
N-methyl-2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123142247
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
CID 123479366
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
N'-(2-methylcyclohex-3-en-1-yl)ethane-1,2-diamine
CID 123508191
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
(4-Methyliminocyclohex-2-en-1-yl)methanamine
CID 123703590
2-[(4-Methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123719177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine (CID 123781711) is N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine is [H]/N=C1/C=CC(CNCCNCC)CC1.
What is the InChIKey of N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine?
The InChIKey is RSPQMDAMHQAHRE-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-13-7-8-14-9-10-3-5-11(12)6-4-10/h3,5,10,12-14H,2,4,6-9H2,1H3/b12-11-.
What are the key properties of N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine?
N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-iminocyclohex-2-en-1-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 123781711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).