1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine

C12H24N2O — CID 117027418

IUPAC1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H24N2O/c1-13-10-4-6-11(7-5-10)14-9-12-3-2-8-15-12/h10-14H,2-9H2,1H3
InChIKeyNFUZQLFIUSUMCS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.29
Rot. Bonds4

About 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine

1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 117027418) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID117027418
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C12H24N2O/c1-13-10-4-6-11(7-5-10)14-9-12-3-2-8-15-12/h10-14H,2-9H2,1H3
InChIKeyNFUZQLFIUSUMCS-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
N-[[(2S)-oxolan-2-yl]methyl]-1-propylpiperidin-4-amine
CID 742865
2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine
CID 167001317
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
N-[[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62429287
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
(3R)-N-[[(2R)-oxolan-2-yl]methyl]thian-3-amine
CID 94885715
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine (CID 117027418) is 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine is CNC1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is NFUZQLFIUSUMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-13-10-4-6-11(7-5-10)14-9-12-3-2-8-15-12/h10-14H,2-9H2,1H3.
What are the key properties of 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 117027418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).