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

C11H22N2O — CID 66937171

IUPAC4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C11H22N2O/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h9-11,13H,1-8,12H2/t9?,10?,11-/m0/s1
InChIKeyYDCDDWHILDGIPS-ILDUYXDCSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds3

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

4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine (PubChem CID 66937171) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine
PubChem CID66937171
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC[C@@H]2CCCO2)CC1
InChIInChI=1S/C11H22N2O/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h9-11,13H,1-8,12H2/t9?,10?,11-/m0/s1
InChIKeyYDCDDWHILDGIPS-ILDUYXDCSA-N
XLogP1.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine (CID 66937171) is 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine is NC1CCC(NC[C@@H]2CCCO2)CC1.
What is the InChIKey of 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine?
The InChIKey is YDCDDWHILDGIPS-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H22N2O/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h9-11,13H,1-8,12H2/t9?,10?,11-/m0/s1.
What are the key properties of 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine?
4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 66937171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).