3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol

C9H18BrNO — CID 104696135

IUPAC3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol
SMILESC=C(Br)CNC(CCO)C(C)C
InChIInChI=1S/C9H18BrNO/c1-7(2)9(4-5-12)11-6-8(3)10/h7,9,11-12H,3-6H2,1-2H3
InChIKeyVBSKUOHTELWDAG-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.89
Rot. Bonds6

About 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol

3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol (PubChem CID 104696135) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol
PubChem CID104696135
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol
SMILESC=C(Br)CNC(CCO)C(C)C
InChIInChI=1S/C9H18BrNO/c1-7(2)9(4-5-12)11-6-8(3)10/h7,9,11-12H,3-6H2,1-2H3
InChIKeyVBSKUOHTELWDAG-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromoprop-2-enylamino)-4-methylpentan-1-ol
CID 61247603
4-(2-Bromoprop-2-enylamino)-3-methylbutan-1-ol
CID 66109421
2-(2-Bromoprop-2-enylamino)-3-methylbutan-1-ol
CID 79249440
(2S)-2-(2-bromoprop-2-enylamino)-3-methylbutan-1-ol
CID 79250606
3-[(2-Bromoprop-2-enylamino)methyl]pentan-1-ol
CID 80289148
4-(2-Bromoprop-2-enylamino)pentan-1-ol
CID 80294799
4,4-Dimethyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103949823
3-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 103949892
3-(2-Bromoprop-2-enylamino)-3-methylpentan-1-ol
CID 103950072
4-(2-Bromoprop-2-enylamino)pentan-2-ol
CID 104106484
4-Methyl-3-(prop-2-enylamino)pentan-1-ol
CID 104696122
4-Methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 104696137

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol (CID 104696135) is 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol is C=C(Br)CNC(CCO)C(C)C.
What is the InChIKey of 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol?
The InChIKey is VBSKUOHTELWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-7(2)9(4-5-12)11-6-8(3)10/h7,9,11-12H,3-6H2,1-2H3.
What are the key properties of 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol?
3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol has a molecular weight of 236.15 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 104696135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).