2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol

C11H22ClNO — CID 103067751

IUPAC2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
SMILESC=C(CCl)CN(CCO)C(CC)CC
InChIInChI=1S/C11H22ClNO/c1-4-11(5-2)13(6-7-14)9-10(3)8-12/h11,14H,3-9H2,1-2H3
InChIKeyDIDQZTAZNKFIKR-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.26
Rot. Bonds8

About 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol

2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol (PubChem CID 103067751) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
PubChem CID103067751
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
SMILESC=C(CCl)CN(CCO)C(CC)CC
InChIInChI=1S/C11H22ClNO/c1-4-11(5-2)13(6-7-14)9-10(3)8-12/h11,14H,3-9H2,1-2H3
InChIKeyDIDQZTAZNKFIKR-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[pentan-3-yl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073427
2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
CID 103067672
N-ethyl-2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 62015880
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide
CID 62016057
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 103067950
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
2-[2-hydroxyethyl(pentan-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 62016645
2-[cyclopropylmethyl(pentan-3-yl)amino]ethanol
CID 62016472
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 62016068
2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
2-[2,2-diethoxyethyl(pentan-3-yl)amino]ethanol
CID 63616990
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
CID 62015077

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol (CID 103067751) is 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol is C=C(CCl)CN(CCO)C(CC)CC.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol?
The InChIKey is DIDQZTAZNKFIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-11(5-2)13(6-7-14)9-10(3)8-12/h11,14H,3-9H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol?
2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol has a molecular weight of 219.76 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 103067751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).