1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine

C14H32N2O — CID 62569030

IUPAC1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(CCOC)CC(C)C
InChIInChI=1S/C14H32N2O/c1-6-7-8-15-11-14(4)16(9-10-17-5)12-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyUJUKVEXAPQTLSV-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds11

About 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine

1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 62569030) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID62569030
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(CCOC)CC(C)C
InChIInChI=1S/C14H32N2O/c1-6-7-8-15-11-14(4)16(9-10-17-5)12-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyUJUKVEXAPQTLSV-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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

2-N-(2-methoxyethyl)-1-N-(3-methylbutyl)-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62569208
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
2-N,2-N-bis(2-methoxyethyl)-1-N-propylpropane-1,2-diamine
CID 62461602
2-N-(2-methoxyethyl)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62428889
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
2-N-butan-2-yl-1-N-butyl-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55087275
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135
2-N-butan-2-yl-2-N-(2-methoxyethyl)-1-N-pentylpropane-1,2-diamine
CID 62570007
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-pentylpropane-1,2-diamine
CID 55087956
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
1-N-butyl-2-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 62570630
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine (CID 62569030) is 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine is CCCCNCC(C)N(CCOC)CC(C)C.
What is the InChIKey of 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is UJUKVEXAPQTLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-7-8-15-11-14(4)16(9-10-17-5)12-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine?
1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 62569030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).