N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine

C14H30N2 — CID 2846615

IUPACN',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(C)C1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-16(6-2)11-10-15(4)14-9-7-8-13(3)12-14/h13-14H,5-12H2,1-4H3
InChIKeyYDPGOMKMVCAXNB-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.84
Rot. Bonds6

About N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine

N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 2846615) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID2846615
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(C)C1CCCC(C)C1
InChIInChI=1S/C14H30N2/c1-5-16(6-2)11-10-15(4)14-9-7-8-13(3)12-14/h13-14H,5-12H2,1-4H3
InChIKeyYDPGOMKMVCAXNB-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine (CID 2846615) is N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine is CCN(CC)CCN(C)C1CCCC(C)C1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is YDPGOMKMVCAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-16(6-2)11-10-15(4)14-9-7-8-13(3)12-14/h13-14H,5-12H2,1-4H3.
What are the key properties of N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 2846615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).