3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane

C9H23N3O — CID 145493073

IUPAC3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane
SMILESC=C(O)CN(CCN)CCN.CC
InChIInChI=1S/C7H17N3O.C2H6/c1-7(11)6-10(4-2-8)5-3-9;1-2/h11H,1-6,8-9H2;1-2H3
InChIKeyMDTPJDNOGVUWHZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.30
Rot. Bonds6

About 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane

3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane (PubChem CID 145493073) has the molecular formula C9H23N3O and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane.

Molecular Properties

Compound Name3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane
PubChem CID145493073
Molecular FormulaC9H23N3O
Molecular Weight189.30 g/mol
Exact Mass189.18
IUPAC Name3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane
SMILESC=C(O)CN(CCN)CCN.CC
InChIInChI=1S/C7H17N3O.C2H6/c1-7(11)6-10(4-2-8)5-3-9;1-2/h11H,1-6,8-9H2;1-2H3
InChIKeyMDTPJDNOGVUWHZ-UHFFFAOYSA-N
XLogP0.30
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
1-N-(2-aminoethyl)-1-N-[2-[2-(ethylamino)ethylamino]ethyl]prop-2-ene-1,2-diamine
CID 166924178
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
1-[2-aminoethyl(butyl)amino]propan-2-one
CID 134504984
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
N'-methyl-N'-prop-1-en-2-ylethane-1,2-diamine
CID 130357566

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane?
The IUPAC name of 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane (CID 145493073) is 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane.
What is the SMILES notation for 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane?
The canonical SMILES for 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane is C=C(O)CN(CCN)CCN.CC.
What is the InChIKey of 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane?
The InChIKey is MDTPJDNOGVUWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O.C2H6/c1-7(11)6-10(4-2-8)5-3-9;1-2/h11H,1-6,8-9H2;1-2H3.
What are the key properties of 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane?
3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane has a molecular weight of 189.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-aminoethyl)amino]prop-1-en-2-ol;ethane is sourced from PubChem (CID 145493073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).