N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C15H30N2O — CID 82836610

IUPACN-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)C(CN)C2CCC(C)O2)C1
InChIInChI=1S/C15H30N2O/c1-11-5-4-6-13(9-11)17(3)14(10-16)15-8-7-12(2)18-15/h11-15H,4-10,16H2,1-3H3
InChIKeyDZPQKIDIXKONEM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82836610) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82836610
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)C(CN)C2CCC(C)O2)C1
InChIInChI=1S/C15H30N2O/c1-11-5-4-6-13(9-11)17(3)14(10-16)15-8-7-12(2)18-15/h11-15H,4-10,16H2,1-3H3
InChIKeyDZPQKIDIXKONEM-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82836610) is N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCCC(N(C)C(CN)C2CCC(C)O2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is DZPQKIDIXKONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-5-4-6-13(9-11)17(3)14(10-16)15-8-7-12(2)18-15/h11-15H,4-10,16H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82836610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).