N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine

C11H27N3O — CID 149204249

IUPACN-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
SMILESCNCCCNCCNCCOC(C)C
InChIInChI=1S/C11H27N3O/c1-11(2)15-10-9-14-8-7-13-6-4-5-12-3/h11-14H,4-10H2,1-3H3
InChIKeyXFHFLYABTWVCCI-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.20
Rot. Bonds11

About N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine

N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine (PubChem CID 149204249) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
PubChem CID149204249
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC NameN-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine
SMILESCNCCCNCCNCCOC(C)C
InChIInChI=1S/C11H27N3O/c1-11(2)15-10-9-14-8-7-13-6-4-5-12-3/h11-14H,4-10H2,1-3H3
InChIKeyXFHFLYABTWVCCI-UHFFFAOYSA-N
XLogP0.20
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
5-chloro-N-(2-propan-2-yloxyethyl)pentan-1-amine
CID 107319832
N-(2-bromoethyl)-2-propan-2-yloxyethanamine
CID 114505264
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N-[3-[dimethoxy(methyl)silyl]propyl]-3-propan-2-yloxypropan-1-amine
CID 142737697

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine (CID 149204249) is N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine is CNCCCNCCNCCOC(C)C.
What is the InChIKey of N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine?
The InChIKey is XFHFLYABTWVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O/c1-11(2)15-10-9-14-8-7-13-6-4-5-12-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine?
N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine has a molecular weight of 217.36 g/mol, XLogP of 0.20, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(2-propan-2-yloxyethylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 149204249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).