1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine

C10H24N2O — CID 63759164

IUPAC1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
SMILESCCCCOCCN(C)CC(C)N
InChIInChI=1S/C10H24N2O/c1-4-5-7-13-8-6-12(3)9-10(2)11/h10H,4-9,11H2,1-3H3
InChIKeyKLLZPGMXXSDUJY-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.08
Rot. Bonds8

About 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine

1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 63759164) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
PubChem CID63759164
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine
SMILESCCCCOCCN(C)CC(C)N
InChIInChI=1S/C10H24N2O/c1-4-5-7-13-8-6-12(3)9-10(2)11/h10H,4-9,11H2,1-3H3
InChIKeyKLLZPGMXXSDUJY-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.08
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

1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
1-[2-(2-butoxyethoxy)ethoxy]hexan-3-amine
CID 104568410
N,2-dimethyl-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]pentan-1-amine
CID 170062056
1-N-[2-(3-methoxypropoxy)ethyl]-1-N-methylbutane-1,3-diamine
CID 103184111
N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 62559268
aluminum;1-butoxybutane;hydride
CID 174684135
1-N-methyl-1-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
CID 81055682
1-amino-3-butoxypropan-1-ol
CID 57047625
N-[2-(2-butoxyethoxy)ethyl]-N-methylformamide;2-methylpropane
CID 155751635

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine (CID 63759164) is 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine is CCCCOCCN(C)CC(C)N.
What is the InChIKey of 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is KLLZPGMXXSDUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-5-7-13-8-6-12(3)9-10(2)11/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine?
1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 188.31 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-butoxyethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63759164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).