1-(1-pent-4-enylazepan-2-yl)propan-2-ol

C14H27NO — CID 114338792

IUPAC1-(1-pent-4-enylazepan-2-yl)propan-2-ol
SMILESC=CCCCN1CCCCCC1CC(C)O
InChIInChI=1S/C14H27NO/c1-3-4-7-10-15-11-8-5-6-9-14(15)12-13(2)16/h3,13-14,16H,1,4-12H2,2H3
InChIKeyCMUIOQAEPBTPDF-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About 1-(1-pent-4-enylazepan-2-yl)propan-2-ol

1-(1-pent-4-enylazepan-2-yl)propan-2-ol (PubChem CID 114338792) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-pent-4-enylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-pent-4-enylazepan-2-yl)propan-2-ol
PubChem CID114338792
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-pent-4-enylazepan-2-yl)propan-2-ol
SMILESC=CCCCN1CCCCCC1CC(C)O
InChIInChI=1S/C14H27NO/c1-3-4-7-10-15-11-8-5-6-9-14(15)12-13(2)16/h3,13-14,16H,1,4-12H2,2H3
InChIKeyCMUIOQAEPBTPDF-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 22975447
1-[Di(propan-2-yl)amino]oct-7-en-2-ol
CID 22975453
4-(Azepan-1-yl)undec-10-en-1-ol
CID 57005435
1-(Diethylamino)oct-7-en-3-ol
CID 79087749
1-(1,4-Dimethyl-1,4-diazepan-2-yl)hex-5-en-1-ol
CID 81822108
1-(Diethylamino)dec-9-en-3-ol
CID 107008630
1-(Dimethylamino)dec-9-en-3-ol
CID 107008677
1-(1,4-Dimethyl-1,4-diazepan-2-yl)oct-7-en-1-ol
CID 107008681
(1-Hept-6-enylazepan-2-yl)methanol
CID 107010129
1-(1-Hept-6-enylpiperidin-2-yl)propan-2-ol
CID 107011014
1-(1-Hept-6-enylpyrrolidin-2-yl)propan-2-ol
CID 107011016
1-(1-Hept-6-enylazepan-2-yl)propan-2-ol
CID 113904783

Frequently Asked Questions

What is the IUPAC name of 1-(1-pent-4-enylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-pent-4-enylazepan-2-yl)propan-2-ol (CID 114338792) is 1-(1-pent-4-enylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-pent-4-enylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-pent-4-enylazepan-2-yl)propan-2-ol is C=CCCCN1CCCCCC1CC(C)O.
What is the InChIKey of 1-(1-pent-4-enylazepan-2-yl)propan-2-ol?
The InChIKey is CMUIOQAEPBTPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-7-10-15-11-8-5-6-9-14(15)12-13(2)16/h3,13-14,16H,1,4-12H2,2H3.
What are the key properties of 1-(1-pent-4-enylazepan-2-yl)propan-2-ol?
1-(1-pent-4-enylazepan-2-yl)propan-2-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pent-4-enylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 114338792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).