[2-(hex-5-en-2-ylamino)cycloheptyl]methanol

C14H27NO — CID 104583381

IUPAC[2-(hex-5-en-2-ylamino)cycloheptyl]methanol
SMILESC=CCCC(C)NC1CCCCCC1CO
InChIInChI=1S/C14H27NO/c1-3-4-8-12(2)15-14-10-7-5-6-9-13(14)11-16/h3,12-16H,1,4-11H2,2H3
InChIKeyIFZUCIOJXNPQCK-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds6

About [2-(hex-5-en-2-ylamino)cycloheptyl]methanol

[2-(hex-5-en-2-ylamino)cycloheptyl]methanol (PubChem CID 104583381) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-(hex-5-en-2-ylamino)cycloheptyl]methanol.

Molecular Properties

Compound Name[2-(hex-5-en-2-ylamino)cycloheptyl]methanol
PubChem CID104583381
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[2-(hex-5-en-2-ylamino)cycloheptyl]methanol
SMILESC=CCCC(C)NC1CCCCCC1CO
InChIInChI=1S/C14H27NO/c1-3-4-8-12(2)15-14-10-7-5-6-9-13(14)11-16/h3,12-16H,1,4-11H2,2H3
InChIKeyIFZUCIOJXNPQCK-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
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)-3-[[(Z)-1-hydroxy-2-methylicos-11-en-3-yl]amino]-2-methylicos-11-en-1-ol
CID 88304720
1-(3-Hydroxypropylamino)-2-methylnon-8-en-1-ol
CID 123988888
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
CID 141177622
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
2,5-Bis(prop-2-enyl)piperidin-4-ol
CID 156496586
1-[4-(Butylamino)cycloheptyl]ethenol
CID 156532077
(4S)-5,7-dimethyl-11-(methylamino)-6-prop-2-enyldodecan-4-ol
CID 166691978
3-Ethyl-3-(tridecan-6-ylamino)hex-5-en-1-ol
CID 169875484
[(1R,2R,3S)-2-but-3-enyl-2-(methylamino)-3-propylcyclopropyl]methanol
CID 170296014
3-[(2S,3R,6R)-6-hept-6-enyl-3-methylpiperidin-2-yl]propan-1-ol
CID 10060837
3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol
CID 10466239

Frequently Asked Questions

What is the IUPAC name of [2-(hex-5-en-2-ylamino)cycloheptyl]methanol?
The IUPAC name of [2-(hex-5-en-2-ylamino)cycloheptyl]methanol (CID 104583381) is [2-(hex-5-en-2-ylamino)cycloheptyl]methanol.
What is the SMILES notation for [2-(hex-5-en-2-ylamino)cycloheptyl]methanol?
The canonical SMILES for [2-(hex-5-en-2-ylamino)cycloheptyl]methanol is C=CCCC(C)NC1CCCCCC1CO.
What is the InChIKey of [2-(hex-5-en-2-ylamino)cycloheptyl]methanol?
The InChIKey is IFZUCIOJXNPQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-8-12(2)15-14-10-7-5-6-9-13(14)11-16/h3,12-16H,1,4-11H2,2H3.
What are the key properties of [2-(hex-5-en-2-ylamino)cycloheptyl]methanol?
[2-(hex-5-en-2-ylamino)cycloheptyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hex-5-en-2-ylamino)cycloheptyl]methanol is sourced from PubChem (CID 104583381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).