N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine

C12H24N4 — CID 123915938

IUPACN'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1C=CC(=NCN)CC1
InChIInChI=1S/C12H24N4/c1-15(2)8-9-16(3)12-6-4-11(5-7-12)14-10-13/h4,6,12H,5,7-10,13H2,1-3H3
InChIKeyJEKLSDBPIMOHNO-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.56
Rot. Bonds5

About N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine

N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 123915938) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID123915938
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1C=CC(=NCN)CC1
InChIInChI=1S/C12H24N4/c1-15(2)8-9-16(3)12-6-4-11(5-7-12)14-10-13/h4,6,12H,5,7-10,13H2,1-3H3
InChIKeyJEKLSDBPIMOHNO-UHFFFAOYSA-N
XLogP0.56
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442677
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
4-imino-N,N-dimethylcyclohex-2-en-1-amine
CID 123329264
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
6-[(Z)-but-1-enyl]-5-methyl-2-propyl-1,2,3,6-tetrahydropyrazine
CID 163892273
1-(1-Methylpiperidin-2-yl)hex-1-en-3-imine
CID 174609931

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine (CID 123915938) is N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1C=CC(=NCN)CC1.
What is the InChIKey of N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is JEKLSDBPIMOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-15(2)8-9-16(3)12-6-4-11(5-7-12)14-10-13/h4,6,12H,5,7-10,13H2,1-3H3.
What are the key properties of N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethylimino)cyclohex-2-en-1-yl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 123915938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).