2-[pentyl(prop-2-enyl)amino]ethanol

C10H21NO — CID 115623581

IUPAC2-[pentyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCCCC
InChIInChI=1S/C10H21NO/c1-3-5-6-8-11(7-4-2)9-10-12/h4,12H,2-3,5-10H2,1H3
InChIKeyBGKLDURWHWPWAF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.66
Rot. Bonds8

About 2-[pentyl(prop-2-enyl)amino]ethanol

2-[pentyl(prop-2-enyl)amino]ethanol (PubChem CID 115623581) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[pentyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Name2-[pentyl(prop-2-enyl)amino]ethanol
PubChem CID115623581
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[pentyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCCCC
InChIInChI=1S/C10H21NO/c1-3-5-6-8-11(7-4-2)9-10-12/h4,12H,2-3,5-10H2,1H3
InChIKeyBGKLDURWHWPWAF-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
4-[4-hydroxybutyl(prop-2-enyl)amino]butan-1-ol
CID 87378089
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
6-[6-hydroxyhexyl(prop-2-enyl)amino]hexan-1-ol
CID 87378049
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 174680920
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 175390899

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl(prop-2-enyl)amino]ethanol?
The IUPAC name of 2-[pentyl(prop-2-enyl)amino]ethanol (CID 115623581) is 2-[pentyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for 2-[pentyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for 2-[pentyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CCCCC.
What is the InChIKey of 2-[pentyl(prop-2-enyl)amino]ethanol?
The InChIKey is BGKLDURWHWPWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-8-11(7-4-2)9-10-12/h4,12H,2-3,5-10H2,1H3.
What are the key properties of 2-[pentyl(prop-2-enyl)amino]ethanol?
2-[pentyl(prop-2-enyl)amino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 115623581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).