4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine

C12H24N2O — CID 79725148

IUPAC4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)C1CCCO1
InChIInChI=1S/C12H24N2O/c1-9(12-3-2-8-15-12)14-11-6-4-10(13)5-7-11/h9-12,14H,2-8,13H2,1H3
InChIKeyLDAYFXSYYMANCO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.41
Rot. Bonds3

About 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine

4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine (PubChem CID 79725148) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
PubChem CID79725148
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)C1CCCO1
InChIInChI=1S/C12H24N2O/c1-9(12-3-2-8-15-12)14-11-6-4-10(13)5-7-11/h9-12,14H,2-8,13H2,1H3
InChIKeyLDAYFXSYYMANCO-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
CID 104585187
3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112681915
4-N-propan-2-ylcyclohexane-1,4-diamine
CID 23346808
1-ethyl-N-[1-(oxolan-2-yl)ethyl]azepan-4-amine
CID 65074185
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
4-[1-(oxolan-2-yl)ethylamino]oxolan-3-ol
CID 60910566
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
1-(oxolan-2-yl)ethylthiourea
CID 43533883
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
1-amino-2-methyl-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 104881996
2-(cyclopropylamino)-2-(oxolan-2-yl)acetamide
CID 82837879

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine (CID 79725148) is 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine is CC(NC1CCC(N)CC1)C1CCCO1.
What is the InChIKey of 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is LDAYFXSYYMANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(12-3-2-8-15-12)14-11-6-4-10(13)5-7-11/h9-12,14H,2-8,13H2,1H3.
What are the key properties of 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79725148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).