1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol

C11H22BrNO — CID 149162712

IUPAC1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol
SMILESC/C=C/CCC(CBr)NCC(C)(C)O
InChIInChI=1S/C11H22BrNO/c1-4-5-6-7-10(8-12)13-9-11(2,3)14/h4-5,10,13-14H,6-9H2,1-3H3/b5-4+
InChIKeyWZZIBEXTROCRPE-SNAWJCMRSA-N
MW264.21 g/mol
LogP2.47
Rot. Bonds7

About 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol

1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 149162712) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol
PubChem CID149162712
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol
SMILESC/C=C/CCC(CBr)NCC(C)(C)O
InChIInChI=1S/C11H22BrNO/c1-4-5-6-7-10(8-12)13-9-11(2,3)14/h4-5,10,13-14H,6-9H2,1-3H3/b5-4+
InChIKeyWZZIBEXTROCRPE-SNAWJCMRSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
CID 149162872
1-(Cyclohex-3-en-1-ylamino)-2-methylpropan-2-ol
CID 65702134
3-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 65702501
1-(Hex-5-en-2-ylamino)-2-methylpropan-2-ol
CID 104582384
1-(Cyclohex-2-en-1-ylamino)-2-methylpropan-2-ol
CID 107907097
1-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 114493280
3-[(Cyclopent-3-en-1-ylamino)methyl]pentan-3-ol
CID 114493639
1-(Cyclopent-3-en-1-ylamino)-2-methylbutan-2-ol
CID 114493641
1-(Cyclopent-3-en-1-ylamino)-2-methylpropan-2-ol
CID 115695318
2-Methyl-1-(6-methylhept-5-en-2-ylamino)propan-2-ol
CID 115718632
3-[(Cyclopent-2-en-1-yl)amino]-2-methylbutan-2-ol
CID 164654666

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol (CID 149162712) is 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol is C/C=C/CCC(CBr)NCC(C)(C)O.
What is the InChIKey of 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is WZZIBEXTROCRPE-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-4-5-6-7-10(8-12)13-9-11(2,3)14/h4-5,10,13-14H,6-9H2,1-3H3/b5-4+.
What are the key properties of 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol?
1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 264.21 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 149162712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).