N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine

C14H30N2O — CID 64737954

IUPACN'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)C1CCC(C)C(C)C1
InChIInChI=1S/C14H30N2O/c1-12-5-6-14(11-13(12)2)16(8-4-7-15)9-10-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyDJBIVSXGGSQOEZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds7

About N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine

N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 64737954) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID64737954
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)C1CCC(C)C(C)C1
InChIInChI=1S/C14H30N2O/c1-12-5-6-14(11-13(12)2)16(8-4-7-15)9-10-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyDJBIVSXGGSQOEZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103081218
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CID 2849478
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CID 28441727
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CID 28441729
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CID 43177250
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CID 43177877
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CID 62542667
CID 62542667

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 64737954) is N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)C1CCC(C)C(C)C1.
What is the InChIKey of N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is DJBIVSXGGSQOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12-5-6-14(11-13(12)2)16(8-4-7-15)9-10-17-3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 64737954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).