N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine

C14H32N2O — CID 54985939

IUPACN'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
SMILESCOCCN(CCCCCCCN)CC(C)C
InChIInChI=1S/C14H32N2O/c1-14(2)13-16(11-12-17-3)10-8-6-4-5-7-9-15/h14H,4-13,15H2,1-3H3
InChIKeyJYTWLLNLOXJODV-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.50
Rot. Bonds12

About N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine

N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine (PubChem CID 54985939) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
PubChem CID54985939
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
SMILESCOCCN(CCCCCCCN)CC(C)C
InChIInChI=1S/C14H32N2O/c1-14(2)13-16(11-12-17-3)10-8-6-4-5-7-9-15/h14H,4-13,15H2,1-3H3
InChIKeyJYTWLLNLOXJODV-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-aminopropyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 86269595
N',N'-bis(2-methylpropyl)pentane-1,5-diamine
CID 3723368
N-[2-(2-aminoethoxy)ethyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 79478302
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800
N-ethyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)pentane-1,5-diamine
CID 62431554
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
N-tert-butyl-N'-(2-methoxyethyl)-N'-(2-methylpropyl)butane-1,4-diamine
CID 62431378
5-[2-methoxyethyl(2-methylpropyl)amino]pentanehydrazide
CID 63584308
N'-(4-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 83155603
1-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butan-2-ol
CID 64822021
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine (CID 54985939) is N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine is COCCN(CCCCCCCN)CC(C)C.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine?
The InChIKey is JYTWLLNLOXJODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-14(2)13-16(11-12-17-3)10-8-6-4-5-7-9-15/h14H,4-13,15H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine?
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.50, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine is sourced from PubChem (CID 54985939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).