(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine

C23H49NO2 — CID 126668283

IUPAC(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine
SMILESCCC(C)(C)CCC(C)(C)OC[C@H](CN)OC(C)(C)CCC(C)(C)CC
InChIInChI=1S/C23H49NO2/c1-11-20(3,4)13-15-22(7,8)25-18-19(17-24)26-23(9,10)16-14-21(5,6)12-2/h19H,11-18,24H2,1-10H3/t19-/m0/s1
InChIKeyPXSOKYLIKLWKMX-IBGZPJMESA-N
MW371.65 g/mol
LogP6.34
Rot. Bonds14

About (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine

(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine (PubChem CID 126668283) has the molecular formula C23H49NO2 and a molecular weight of 371.65 g/mol. Its IUPAC name is (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine
PubChem CID126668283
Molecular FormulaC23H49NO2
Molecular Weight371.65 g/mol
Exact Mass371.38
IUPAC Name(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine
SMILESCCC(C)(C)CCC(C)(C)OC[C@H](CN)OC(C)(C)CCC(C)(C)CC
InChIInChI=1S/C23H49NO2/c1-11-20(3,4)13-15-22(7,8)25-18-19(17-24)26-23(9,10)16-14-21(5,6)12-2/h19H,11-18,24H2,1-10H3/t19-/m0/s1
InChIKeyPXSOKYLIKLWKMX-IBGZPJMESA-N
XLogP6.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine 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

2-[2-(9-Octylheptadecan-9-yloxy)ethoxy]ethanamine
CID 57050969
2,3-Didodecoxy-3-methylbutan-1-amine
CID 87894290
1-[1-[2-[2-(2-Aminopropoxy)propoxymethyl]-2-ethylhexoxy]propan-2-yloxy]propan-2-amine
CID 117619460
1-[1-[2-[2-[2-(2-Aminopropoxy)propoxy]propoxymethyl]-2-ethylhexoxy]propan-2-yloxy]propan-2-amine
CID 117624407
1-[1-[2-Ethyl-2-[2-(2-methylpropoxy)propoxymethyl]hexoxy]propan-2-yloxy]propan-2-amine
CID 121247098
1-[7-[2-(2-Aminopropoxy)propoxy]-6,6-dimethylheptan-2-yl]oxypropan-2-amine
CID 124119438
1-[1-(2,2,5,5-Tetramethylhexoxy)propan-2-yloxy]propan-2-amine
CID 130251397
2-[2-[2-(2,4,4-Trimethylpentan-2-yloxy)propoxy]propoxy]propan-1-amine
CID 130252040
3-[1-[1-[2-[2-[2-(2-Aminopropoxy)propoxy]propoxymethyl]-2-ethylhexoxy]propan-2-yloxy]propan-2-yloxy]-2-methylpropan-1-amine
CID 130466405
3-[1-[1-[2-[2-[2-(3-Aminopropoxy)propoxy]propoxymethyl]-2-ethylhexoxy]propan-2-yloxy]propan-2-yloxy]propan-1-amine
CID 130466406
3-[1-[2-[2-(3-Aminopropoxy)propoxymethyl]-2-ethylhexoxy]propan-2-yloxy]propan-1-amine
CID 130466407
2-[1-(5-Hexyl-2-methyldodecan-2-yl)oxy-2-methylpropan-2-yl]oxyethanamine
CID 134217981

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine?
The IUPAC name of (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine (CID 126668283) is (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine.
What is the SMILES notation for (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine?
The canonical SMILES for (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine is CCC(C)(C)CCC(C)(C)OC[C@H](CN)OC(C)(C)CCC(C)(C)CC.
What is the InChIKey of (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine?
The InChIKey is PXSOKYLIKLWKMX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H49NO2/c1-11-20(3,4)13-15-22(7,8)25-18-19(17-24)26-23(9,10)16-14-21(5,6)12-2/h19H,11-18,24H2,1-10H3/t19-/m0/s1.
What are the key properties of (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine?
(2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine has a molecular weight of 371.65 g/mol, XLogP of 6.34, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis(2,5,5-trimethylheptan-2-yloxy)propan-1-amine is sourced from PubChem (CID 126668283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).