N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine

C10H24N2O2 — CID 57301622

IUPACN'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine
SMILESCCOCC(C)NCNCCCOC
InChIInChI=1S/C10H24N2O2/c1-4-14-8-10(2)12-9-11-6-5-7-13-3/h10-12H,4-9H2,1-3H3
InChIKeyKLYWBRWWQJJIJX-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.58
Rot. Bonds10

About N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine

N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine (PubChem CID 57301622) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine.

Molecular Properties

Compound NameN'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine
PubChem CID57301622
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC NameN'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine
SMILESCCOCC(C)NCNCCCOC
InChIInChI=1S/C10H24N2O2/c1-4-14-8-10(2)12-9-11-6-5-7-13-3/h10-12H,4-9H2,1-3H3
InChIKeyKLYWBRWWQJJIJX-UHFFFAOYSA-N
XLogP0.58
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-2-amine
CID 115707889
N-[2-(1-ethoxypropan-2-yloxy)ethyl]-3-methoxypropan-1-amine
CID 103490751
N-[2-(2-ethoxyethoxy)ethyl]-3-methoxypropan-1-amine
CID 62565586
1-ethoxy-3-(4-methoxybutylamino)propan-2-ol
CID 63933667
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
4-(1-ethoxypropan-2-yloxy)-N-(2-methoxyethyl)butan-1-amine
CID 103490793
1-N-(3-ethoxypropyl)-2-N-(1-methoxypropan-2-yl)-2-N-methylpropane-1,2-diamine
CID 62567966
N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
CID 115707824
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-(1-ethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 103033262

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine?
The IUPAC name of N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine (CID 57301622) is N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine.
What is the SMILES notation for N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine?
The canonical SMILES for N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine is CCOCC(C)NCNCCCOC.
What is the InChIKey of N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine?
The InChIKey is KLYWBRWWQJJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-4-14-8-10(2)12-9-11-6-5-7-13-3/h10-12H,4-9H2,1-3H3.
What are the key properties of N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine?
N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine has a molecular weight of 204.31 g/mol, XLogP of 0.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethoxypropan-2-yl)-N-(3-methoxypropyl)methanediamine is sourced from PubChem (CID 57301622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).