4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine

C16H32N2O — CID 79116171

IUPAC4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
SMILESCCN(C1CCC(N)CC1)C1CCOC(C(C)C)C1
InChIInChI=1S/C16H32N2O/c1-4-18(14-7-5-13(17)6-8-14)15-9-10-19-16(11-15)12(2)3/h12-16H,4-11,17H2,1-3H3
InChIKeyIBUCRMLDPFTSER-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.78
Rot. Bonds4

About 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine (PubChem CID 79116171) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
PubChem CID79116171
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
SMILESCCN(C1CCC(N)CC1)C1CCOC(C(C)C)C1
InChIInChI=1S/C16H32N2O/c1-4-18(14-7-5-13(17)6-8-14)15-9-10-19-16(11-15)12(2)3/h12-16H,4-11,17H2,1-3H3
InChIKeyIBUCRMLDPFTSER-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
CID 79115915
N-cyclopropyl-N-(piperidin-4-ylmethyl)-2-propan-2-yloxan-4-amine
CID 79715647
1-N-cyclopropyl-1-N-ethylcyclohexane-1,3-diamine
CID 79469660
N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
CID 115318806
2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
CID 65058078
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
N-ethyl-N-(piperidin-2-ylmethyl)-2-propan-2-yloxan-4-amine
CID 106622747
[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
CID 97010857
3-N-cyclopropyl-3-N-(2-methylpropyl)cyclopentane-1,3-diamine
CID 79468759
N-(piperidin-3-ylmethyl)-2-propan-2-yl-N-propyloxan-4-amine
CID 106625470
3-N-methyl-3-N-pentan-2-ylcyclopentane-1,3-diamine
CID 79467905
2-(2-propan-2-yloxan-4-yl)propan-1-amine
CID 83906955

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine (CID 79116171) is 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine is CCN(C1CCC(N)CC1)C1CCOC(C(C)C)C1.
What is the InChIKey of 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine?
The InChIKey is IBUCRMLDPFTSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-18(14-7-5-13(17)6-8-14)15-9-10-19-16(11-15)12(2)3/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79116171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).