N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine

C14H28N2 — CID 67702046

IUPACN',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCC1CC=CCC1C
InChIInChI=1S/C14H28N2/c1-4-16(5-2)11-10-15-12-14-9-7-6-8-13(14)3/h6-7,13-15H,4-5,8-12H2,1-3H3
InChIKeyAHLWTQRPHDAYGW-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.52
Rot. Bonds7

About N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine

N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine (PubChem CID 67702046) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine
PubChem CID67702046
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCNCC1CC=CCC1C
InChIInChI=1S/C14H28N2/c1-4-16(5-2)11-10-15-12-14-9-7-6-8-13(14)3/h6-7,13-15H,4-5,8-12H2,1-3H3
InChIKeyAHLWTQRPHDAYGW-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
2-(piperazin-1-yl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 2867167
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
Cambridge id 5425829
CID 2845835
Cambridge id 5427223
CID 2845934
Cambridge id 5431361
CID 2846179
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
1-(aminomethyl)-4-fluoro-N-propylcyclohex-3-en-1-amine
CID 117626994
(E)-1-N-ethyl-1-N-[(6-fluoro-6-methylcyclohex-3-en-1-yl)methyl]-2-N-methylbut-2-ene-1,2-diamine
CID 170446160

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine (CID 67702046) is N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine is CCN(CC)CCNCC1CC=CCC1C.
What is the InChIKey of N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine?
The InChIKey is AHLWTQRPHDAYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16(5-2)11-10-15-12-14-9-7-6-8-13(14)3/h6-7,13-15H,4-5,8-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(6-methylcyclohex-3-en-1-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 67702046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).