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

C10H20ClNO — CID 106438327

IUPAC3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(C)=CCl
InChIInChI=1S/C10H20ClNO/c1-4-10(3,5-6-13)12-8-9(2)7-11/h7,12-13H,4-6,8H2,1-3H3
InChIKeyZUJRPGJAARPZBP-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.27
Rot. Bonds6

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

3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol (PubChem CID 106438327) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol
PubChem CID106438327
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCC(C)=CCl
InChIInChI=1S/C10H20ClNO/c1-4-10(3,5-6-13)12-8-9(2)7-11/h7,12-13H,4-6,8H2,1-3H3
InChIKeyZUJRPGJAARPZBP-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol (CID 106438327) is 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)NCC(C)=CCl.
What is the InChIKey of 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol?
The InChIKey is ZUJRPGJAARPZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-10(3,5-6-13)12-8-9(2)7-11/h7,12-13H,4-6,8H2,1-3H3.
What are the key properties of 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol?
3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol has a molecular weight of 205.73 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-methylprop-2-enyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106438327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).