N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine

C14H28N2 — CID 2845934

IUPACN-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)CC1CC=CCC1
InChIInChI=1S/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyJMUOSMWJHAUVRN-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine

N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 2845934) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine
PubChem CID2845934
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine
SMILESCCN(CC)CCN(C)CC1CC=CCC1
InChIInChI=1S/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyJMUOSMWJHAUVRN-UHFFFAOYSA-N
XLogP2.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine (CID 2845934) is N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine is CCN(CC)CCN(C)CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is JMUOSMWJHAUVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine?
N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N',N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 2845934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).