4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol

C8H16ClNO — CID 66107470

IUPAC4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol
SMILESC=C(Cl)CNCC(C)CCO
InChIInChI=1S/C8H16ClNO/c1-7(3-4-11)5-10-6-8(2)9/h7,10-11H,2-6H2,1H3
InChIKeyKSFODNSDKDPMOH-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.35
Rot. Bonds6

About 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol

4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol (PubChem CID 66107470) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol
PubChem CID66107470
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol
SMILESC=C(Cl)CNCC(C)CCO
InChIInChI=1S/C8H16ClNO/c1-7(3-4-11)5-10-6-8(2)9/h7,10-11H,2-6H2,1H3
InChIKeyKSFODNSDKDPMOH-UHFFFAOYSA-N
XLogP1.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol (CID 66107470) is 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol is C=C(Cl)CNCC(C)CCO.
What is the InChIKey of 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol?
The InChIKey is KSFODNSDKDPMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-7(3-4-11)5-10-6-8(2)9/h7,10-11H,2-6H2,1H3.
What are the key properties of 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol?
4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol has a molecular weight of 177.67 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 66107470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).