2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine

C8H21N3O — CID 140632419

IUPAC2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
SMILESCC(N)COCC(C)(CN)CN
InChIInChI=1S/C8H21N3O/c1-7(11)3-12-6-8(2,4-9)5-10/h7H,3-6,9-11H2,1-2H3
InChIKeyQYYFNJIHMPBGPO-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.73
Rot. Bonds6

About 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine

2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine (PubChem CID 140632419) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
PubChem CID140632419
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC Name2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
SMILESCC(N)COCC(C)(CN)CN
InChIInChI=1S/C8H21N3O/c1-7(11)3-12-6-8(2,4-9)5-10/h7H,3-6,9-11H2,1-2H3
InChIKeyQYYFNJIHMPBGPO-UHFFFAOYSA-N
XLogP-0.73
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635
tris(1-[2,2-bis(2-aminoethoxymethyl)butoxy]propan-2-amine);tris(1-[2,2-bis(2-aminopropoxymethyl)butoxy]propan-2-amine)
CID 163666427
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
1-[2-(dimethylamino)ethoxy]propan-2-amine
CID 164578140
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
1-[3-(3-aminopropoxy)propoxy]propan-2-amine
CID 138696383
1-[2-[1-[2-[2-[1-(2-aminopropoxy)propan-2-yloxy]propoxy]propoxy]propan-2-yloxy]propoxy]propan-2-amine
CID 129028378
1-(2-cyclopropylethoxy)propan-2-amine
CID 106200486
2-[(2R)-2-aminopropoxy]ethanol
CID 21097963
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705978

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine?
The IUPAC name of 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine (CID 140632419) is 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine is CC(N)COCC(C)(CN)CN.
What is the InChIKey of 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine?
The InChIKey is QYYFNJIHMPBGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O/c1-7(11)3-12-6-8(2,4-9)5-10/h7H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine?
2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine has a molecular weight of 175.28 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 140632419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).