1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine

C14H28N2O — CID 79122440

IUPAC1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CC2CCCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-15-12-6-8-13(9-7-12)16(2)11-14-5-3-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyJMANFFVUGLDRQB-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79122440) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79122440
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)CC2CCCCO2)CC1
InChIInChI=1S/C14H28N2O/c1-15-12-6-8-13(9-7-12)16(2)11-14-5-3-4-10-17-14/h12-15H,3-11H2,1-2H3
InChIKeyJMANFFVUGLDRQB-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

N-methyl-N-(oxan-2-ylmethyl)oxetan-3-amine
CID 130605523
3-[methyl(oxolan-2-ylmethyl)amino]cyclopentan-1-ol
CID 79643838
N,5-dimethyl-N-(oxan-2-ylmethyl)piperidin-3-amine
CID 115373417
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentane-1-carboxylic acid
CID 79646403
N-methyl-N-[4-(methylamino)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 79122258
trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
CID 102734490
[1-(ethylamino)-3-[methyl(oxan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79657043
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
N-methyl-4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxolan-3-amine
CID 66246167

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine (CID 79122440) is 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine is CNC1CCC(N(C)CC2CCCCO2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is JMANFFVUGLDRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-15-12-6-8-13(9-7-12)16(2)11-14-5-3-4-10-17-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)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,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79122440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).