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

C9H18BrNO — CID 103950072

IUPAC3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol
SMILESC=C(Br)CNC(C)(CC)CCO
InChIInChI=1S/C9H18BrNO/c1-4-9(3,5-6-12)11-7-8(2)10/h11-12H,2,4-7H2,1,3H3
InChIKeyNONSRFWAPJENDW-UHFFFAOYSA-N
MW236.15 g/mol
LogP2.04
Rot. Bonds6

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

3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol (PubChem CID 103950072) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol
PubChem CID103950072
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol
SMILESC=C(Br)CNC(C)(CC)CCO
InChIInChI=1S/C9H18BrNO/c1-4-9(3,5-6-12)11-7-8(2)10/h11-12H,2,4-7H2,1,3H3
InChIKeyNONSRFWAPJENDW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Bromoprop-2-enylamino)-2-ethylbutan-1-ol
CID 62518674
2-(2-Bromoprop-2-enylamino)-2-methylbutan-1-ol
CID 64459085
3-[(2-Bromoprop-2-enylamino)methyl]pentan-1-ol
CID 80289148
4-(2-Bromoprop-2-enylamino)pentan-1-ol
CID 80294799
3-Methyl-3-(2-methylprop-2-enylamino)pentan-1-ol
CID 103774848
3-(2-Bromoprop-2-enylamino)-4,4-dimethylpentan-1-ol
CID 103949892
3-Methyl-3-(prop-2-enylamino)pentan-1-ol
CID 103950051
3-(2-Bromoprop-2-enylamino)-4-methylpentan-1-ol
CID 104696135
3-(2-Bromoprop-2-enylamino)-2-methylbutan-1-ol
CID 104696416
3-[[(E)-but-2-enyl]amino]-3-methylpentan-1-ol
CID 106174988
3-Methyl-3-(2-methylidenebutylamino)pentan-1-ol
CID 106175090
3-(2-Chloroprop-2-enylamino)-3-methylpentan-1-ol
CID 106175439

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol (CID 103950072) is 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol is C=C(Br)CNC(C)(CC)CCO.
What is the InChIKey of 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol?
The InChIKey is NONSRFWAPJENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-4-9(3,5-6-12)11-7-8(2)10/h11-12H,2,4-7H2,1,3H3.
What are the key properties of 3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol?
3-(2-bromoprop-2-enylamino)-3-methylpentan-1-ol has a molecular weight of 236.15 g/mol, XLogP of 2.04, 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)-3-methylpentan-1-ol is sourced from PubChem (CID 103950072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).