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

C11H23NO — CID 149162872

IUPAC1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
SMILESC/C=C/CCC(C)NCC(C)(C)O
InChIInChI=1S/C11H23NO/c1-5-6-7-8-10(2)12-9-11(3,4)13/h5-6,10,12-13H,7-9H2,1-4H3/b6-5+
InChIKeyDFAHMJXIOLALMV-AATRIKPKSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds6

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

1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 149162872) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
PubChem CID149162872
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol
SMILESC/C=C/CCC(C)NCC(C)(C)O
InChIInChI=1S/C11H23NO/c1-5-6-7-8-10(2)12-9-11(3,4)13/h5-6,10,12-13H,7-9H2,1-4H3/b6-5+
InChIKeyDFAHMJXIOLALMV-AATRIKPKSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-3-(fluoromethyl)-4-(propylamino)hept-5-en-3-ol
CID 167082463
2-methyl-1-[[(Z)-octadec-9-enyl]amino]propan-2-ol
CID 146623905
1-[[(E)-1-bromohept-5-en-2-yl]amino]-2-methylpropan-2-ol
CID 149162712
2-(1,2,3,6-Tetrahydropyridin-6-yl)propan-2-ol
CID 55286795
(E)-1-(ethylamino)-2-methylpent-3-en-2-ol
CID 55288456
2-Methyl-1-(pent-4-enylamino)propan-2-ol
CID 65107358
3-[(Pent-4-enylamino)methyl]pentan-3-ol
CID 65111656
3-(Cyclohex-3-en-1-ylmethylamino)-2-methylbutan-2-ol
CID 65337526
1-(Cyclohex-3-en-1-ylamino)propan-2-ol
CID 65701522
1-(Cyclohex-3-en-1-ylamino)-2-methylpropan-2-ol
CID 65702134
3-(Cyclohex-3-en-1-ylamino)-2-methylbutan-2-ol
CID 65702501
2,4-Dimethyl-1-(propan-2-ylamino)pent-3-en-2-ol
CID 79177997

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol (CID 149162872) is 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol is C/C=C/CCC(C)NCC(C)(C)O.
What is the InChIKey of 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol?
The InChIKey is DFAHMJXIOLALMV-AATRIKPKSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-6-7-8-10(2)12-9-11(3,4)13/h5-6,10,12-13H,7-9H2,1-4H3/b6-5+.
What are the key properties of 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol?
1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-hept-5-en-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 149162872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).