3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol

C8H17NO — CID 143512276

IUPAC3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol
SMILESC=C(C)N(CC)CCCO
InChIInChI=1S/C8H17NO/c1-4-9(8(2)3)6-5-7-10/h10H,2,4-7H2,1,3H3
InChIKeyDGWMTMKNDQMKEV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.22
Rot. Bonds5

About 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol

3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol (PubChem CID 143512276) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol
PubChem CID143512276
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol
SMILESC=C(C)N(CC)CCCO
InChIInChI=1S/C8H17NO/c1-4-9(8(2)3)6-5-7-10/h10H,2,4-7H2,1,3H3
InChIKeyDGWMTMKNDQMKEV-UHFFFAOYSA-N
XLogP1.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol (CID 143512276) is 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol is C=C(C)N(CC)CCCO.
What is the InChIKey of 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol?
The InChIKey is DGWMTMKNDQMKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-9(8(2)3)6-5-7-10/h10H,2,4-7H2,1,3H3.
What are the key properties of 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol?
3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(prop-1-en-2-yl)amino]propan-1-ol is sourced from PubChem (CID 143512276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).