(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine

C10H26N4O — CID 11806174

IUPAC(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
SMILESC[C@H](N)CNCCOCCNC[C@H](C)N
InChIInChI=1S/C10H26N4O/c1-9(11)7-13-3-5-15-6-4-14-8-10(2)12/h9-10,13-14H,3-8,11-12H2,1-2H3/t9-,10-/m0/s1
InChIKeySYTOPIKBCPDLKR-UWVGGRQHSA-N
MW218.34 g/mol
LogP-1.12
Rot. Bonds10

About (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine

(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine (PubChem CID 11806174) has the molecular formula C10H26N4O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
PubChem CID11806174
Molecular FormulaC10H26N4O
Molecular Weight218.34 g/mol
Exact Mass218.21
IUPAC Name(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
SMILESC[C@H](N)CNCCOCCNC[C@H](C)N
InChIInChI=1S/C10H26N4O/c1-9(11)7-13-3-5-15-6-4-14-8-10(2)12/h9-10,13-14H,3-8,11-12H2,1-2H3/t9-,10-/m0/s1
InChIKeySYTOPIKBCPDLKR-UWVGGRQHSA-N
XLogP-1.12
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine 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-N-(3-ethoxypropyl)propane-1,2-diamine
CID 62568793
N-[2-[2-(3-aminopropoxy)ethoxy]ethyl]-2-methylpropan-1-amine
CID 171539596
4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
CID 66107039
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
(2S)-1-[2-[2-(2-methylpropylamino)ethoxy]ethylamino]propane-2-thiol
CID 167242879
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
N-(2-ethoxyethyl)-2-methylpropan-1-amine
CID 43387935
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]butane-1,3-diamine
CID 91542846
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
CID 156801565
CID 156801565
2-methylsulfanyl-N-(2-propoxyethyl)propan-1-amine
CID 106452503
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine?
The IUPAC name of (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine (CID 11806174) is (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine is C[C@H](N)CNCCOCCNC[C@H](C)N.
What is the InChIKey of (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine?
The InChIKey is SYTOPIKBCPDLKR-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H26N4O/c1-9(11)7-13-3-5-15-6-4-14-8-10(2)12/h9-10,13-14H,3-8,11-12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine?
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of -1.12, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine is sourced from PubChem (CID 11806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).