4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol

C16H25NO — CID 123963648

IUPAC4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=c1cc(O)ccc1=CC(CCCC)CC(C)N
InChIInChI=1S/C16H25NO/c1-4-5-6-14(10-13(3)17)11-15-7-8-16(18)9-12(15)2/h7-9,11,13-14,18H,2,4-6,10,17H2,1,3H3
InChIKeyKIPRDGVAHLZCMJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.13
Rot. Bonds6

About 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol

4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol (PubChem CID 123963648) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol
PubChem CID123963648
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol
SMILESC=c1cc(O)ccc1=CC(CCCC)CC(C)N
InChIInChI=1S/C16H25NO/c1-4-5-6-14(10-13(3)17)11-15-7-8-16(18)9-12(15)2/h7-9,11,13-14,18H,2,4-6,10,17H2,1,3H3
InChIKeyKIPRDGVAHLZCMJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol (CID 123963648) is 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol is C=c1cc(O)ccc1=CC(CCCC)CC(C)N.
What is the InChIKey of 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is KIPRDGVAHLZCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-6-14(10-13(3)17)11-15-7-8-16(18)9-12(15)2/h7-9,11,13-14,18H,2,4-6,10,17H2,1,3H3.
What are the key properties of 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol?
4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopropyl)hexylidene]-3-methylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 123963648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).