3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal

C9H21N3O2 — CID 89024862

IUPAC3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal
SMILESCCNC(O)CCN(CN)CCC=O
InChIInChI=1S/C9H21N3O2/c1-2-11-9(14)4-6-12(8-10)5-3-7-13/h7,9,11,14H,2-6,8,10H2,1H3
InChIKeyOKDXIMVTZRUUCQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.89
Rot. Bonds9

About 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal

3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal (PubChem CID 89024862) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal.

Molecular Properties

Compound Name3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal
PubChem CID89024862
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal
SMILESCCNC(O)CCN(CN)CCC=O
InChIInChI=1S/C9H21N3O2/c1-2-11-9(14)4-6-12(8-10)5-3-7-13/h7,9,11,14H,2-6,8,10H2,1H3
InChIKeyOKDXIMVTZRUUCQ-UHFFFAOYSA-N
XLogP-0.89
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(3-oxopropyl)amino]propanal
CID 89031167
4-(ethylamino)-5-oxohexanal
CID 155034018
1-N,1-N,3-N-triethyl-5-methylhex-4-ene-1,3-diamine
CID 79179939
3-[2-aminoethyl(3-oxopropyl)amino]-N-[2-(2-ethylhydrazinyl)ethyl]propanamide
CID 148765600
1,2-bis(ethylamino)ethanol
CID 130275854
ethane;1-(ethylamino)-2-[ethyl(methyl)amino]ethanol
CID 142873748
1-(ethylamino)tetradecan-1-ol
CID 88518024
[3-[aminomethyl-[(6-oxohexanoylamino)methyl]amino]-2-hydroxypropyl]-(hydroxymethyl)-dimethylazanium
CID 20680267
3-[2-aminoethyl(3-aminopropyl)amino]propanal
CID 89024868
5-amino-4-hydroxypentanal
CID 19767735
(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819
ethyl 3-[bis(3-methylbutyl)amino]-2-(ethylamino)propanoate
CID 107870945

Frequently Asked Questions

What is the IUPAC name of 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal?
The IUPAC name of 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal (CID 89024862) is 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal.
What is the SMILES notation for 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal?
The canonical SMILES for 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal is CCNC(O)CCN(CN)CCC=O.
What is the InChIKey of 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal?
The InChIKey is OKDXIMVTZRUUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-2-11-9(14)4-6-12(8-10)5-3-7-13/h7,9,11,14H,2-6,8,10H2,1H3.
What are the key properties of 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal?
3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal has a molecular weight of 203.29 g/mol, XLogP of -0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[aminomethyl-[3-(ethylamino)-3-hydroxypropyl]amino]propanal is sourced from PubChem (CID 89024862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).