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

C14H30N2O — CID 64748089

IUPACN'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCC1CCC(N(CCCN)CCOC)CC1
InChIInChI=1S/C14H30N2O/c1-3-13-5-7-14(8-6-13)16(10-4-9-15)11-12-17-2/h13-14H,3-12,15H2,1-2H3
InChIKeyTZCJMFOPFDFQQL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds8

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

N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 64748089) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID64748089
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCC1CCC(N(CCCN)CCOC)CC1
InChIInChI=1S/C14H30N2O/c1-3-13-5-7-14(8-6-13)16(10-4-9-15)11-12-17-2/h13-14H,3-12,15H2,1-2H3
InChIKeyTZCJMFOPFDFQQL-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65803636
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CID 65805176
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CID 65827458
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CID 65828022
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CID 65839655
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CID 65841441
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CID 107094188
CID 107094188

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 64748089) is N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine is CCC1CCC(N(CCCN)CCOC)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is TZCJMFOPFDFQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-13-5-7-14(8-6-13)16(10-4-9-15)11-12-17-2/h13-14H,3-12,15H2,1-2H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 64748089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).