1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol

C11H22ClNO — CID 106438348

IUPAC1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCC(C)=CCl
InChIInChI=1S/C11H22ClNO/c1-4-10(5-2)11(14)8-13-7-9(3)6-12/h6,10-11,13-14H,4-5,7-8H2,1-3H3
InChIKeyIKUPEYODFJYWOI-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.52
Rot. Bonds7

About 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol

1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol (PubChem CID 106438348) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol
PubChem CID106438348
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCC(C)=CCl
InChIInChI=1S/C11H22ClNO/c1-4-10(5-2)11(14)8-13-7-9(3)6-12/h6,10-11,13-14H,4-5,7-8H2,1-3H3
InChIKeyIKUPEYODFJYWOI-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
1-[(3-chloro-2-methylprop-2-enyl)amino]pentan-3-ol
CID 106438119
1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol
CID 106286228
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]acetamide
CID 106285867
3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine
CID 106437656
3-chloro-N-[(1-ethylcyclobutyl)methyl]-2-methylprop-2-en-1-amine
CID 106438249
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-2-methylpropane-1,3-diol
CID 106285929
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486
3-chloro-N-(3-chloropropyl)-2-methylprop-2-en-1-amine
CID 106439962
3-chloro-N-(cyclopropylmethyl)-2-methylprop-2-en-1-amine
CID 106437274
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
CID 106285628

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol (CID 106438348) is 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCC(C)=CCl.
What is the InChIKey of 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol?
The InChIKey is IKUPEYODFJYWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-4-10(5-2)11(14)8-13-7-9(3)6-12/h6,10-11,13-14H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol?
1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol has a molecular weight of 219.76 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylprop-2-enyl)amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106438348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).