N'-butan-2-yl-N'-methoxypropane-1,3-diamine

C8H20N2O — CID 174501653

IUPACN'-butan-2-yl-N'-methoxypropane-1,3-diamine
SMILESCCC(C)N(CCCN)OC
InChIInChI=1S/C8H20N2O/c1-4-8(2)10(11-3)7-5-6-9/h8H,4-7,9H2,1-3H3
InChIKeyJZLHBZXODQJOLF-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.00
Rot. Bonds6

About N'-butan-2-yl-N'-methoxypropane-1,3-diamine

N'-butan-2-yl-N'-methoxypropane-1,3-diamine (PubChem CID 174501653) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methoxypropane-1,3-diamine
PubChem CID174501653
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC NameN'-butan-2-yl-N'-methoxypropane-1,3-diamine
SMILESCCC(C)N(CCCN)OC
InChIInChI=1S/C8H20N2O/c1-4-8(2)10(11-3)7-5-6-9/h8H,4-7,9H2,1-3H3
InChIKeyJZLHBZXODQJOLF-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
CID 22987584
N'-butan-2-yl-N'-cycloheptylpropane-1,3-diamine
CID 43137687
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
4-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methoxypropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-methoxypropane-1,3-diamine (CID 174501653) is N'-butan-2-yl-N'-methoxypropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methoxypropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methoxypropane-1,3-diamine is CCC(C)N(CCCN)OC.
What is the InChIKey of N'-butan-2-yl-N'-methoxypropane-1,3-diamine?
The InChIKey is JZLHBZXODQJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-4-8(2)10(11-3)7-5-6-9/h8H,4-7,9H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-methoxypropane-1,3-diamine?
N'-butan-2-yl-N'-methoxypropane-1,3-diamine has a molecular weight of 160.26 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methoxypropane-1,3-diamine is sourced from PubChem (CID 174501653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).