1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine

C14H28N2O — CID 114763514

IUPAC1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)C2CCOC2C)CC1
InChIInChI=1S/C14H28N2O/c1-4-15-12-5-7-13(8-6-12)16(3)14-9-10-17-11(14)2/h11-15H,4-10H2,1-3H3
InChIKeyFDHMGEHHWZTQOL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine

1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine (PubChem CID 114763514) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine
PubChem CID114763514
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)C2CCOC2C)CC1
InChIInChI=1S/C14H28N2O/c1-4-15-12-5-7-13(8-6-12)16(3)14-9-10-17-11(14)2/h11-15H,4-10H2,1-3H3
InChIKeyFDHMGEHHWZTQOL-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]cyclopentyl]methanol
CID 82744783
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 134438411
2-(cyclopropylamino)-N-methyl-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82745510
[1-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]cyclopentyl]methanol
CID 82745576
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
N-ethylcyclopropanamine;hydrochloride
CID 43810659
N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82753744
N,5,5-trimethyl-N-(2-methyloxolan-3-yl)pyrrolidin-3-amine
CID 82747485
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
1-N-ethyl-4-N-methyl-4-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexane-1,4-diamine
CID 79902820
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine (CID 114763514) is 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine is CCNC1CCC(N(C)C2CCOC2C)CC1.
What is the InChIKey of 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine?
The InChIKey is FDHMGEHHWZTQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-15-12-5-7-13(8-6-12)16(3)14-9-10-17-11(14)2/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine?
1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 114763514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).