(E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol

C16H25NO — CID 25101787

IUPAC(E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol
SMILESCCC(O)(/C=C/c1cccc(CCCN)c1)CC
InChIInChI=1S/C16H25NO/c1-3-16(18,4-2)11-10-15-8-5-7-14(13-15)9-6-12-17/h5,7-8,10-11,13,18H,3-4,6,9,12,17H2,1-2H3/b11-10+
InChIKeyWZAMHIIJKHBBSF-ZHACJKMWSA-N
MW247.38 g/mol
LogP3.14
Rot. Bonds7

About (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol

(E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol (PubChem CID 25101787) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol
PubChem CID25101787
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol
SMILESCCC(O)(/C=C/c1cccc(CCCN)c1)CC
InChIInChI=1S/C16H25NO/c1-3-16(18,4-2)11-10-15-8-5-7-14(13-15)9-6-12-17/h5,7-8,10-11,13,18H,3-4,6,9,12,17H2,1-2H3/b11-10+
InChIKeyWZAMHIIJKHBBSF-ZHACJKMWSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol?
The IUPAC name of (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol (CID 25101787) is (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol.
What is the SMILES notation for (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol?
The canonical SMILES for (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol is CCC(O)(/C=C/c1cccc(CCCN)c1)CC.
What is the InChIKey of (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol?
The InChIKey is WZAMHIIJKHBBSF-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-16(18,4-2)11-10-15-8-5-7-14(13-15)9-6-12-17/h5,7-8,10-11,13,18H,3-4,6,9,12,17H2,1-2H3/b11-10+.
What are the key properties of (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol?
(E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol has a molecular weight of 247.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(3-aminopropyl)phenyl]-3-ethylpent-1-en-3-ol is sourced from PubChem (CID 25101787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).