(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol

C13H19NO — CID 174622209

IUPAC(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
SMILESC/C(=C\c1ccc(CN)cc1)CCCO
InChIInChI=1S/C13H19NO/c1-11(3-2-8-15)9-12-4-6-13(10-14)7-5-12/h4-7,9,15H,2-3,8,10,14H2,1H3/b11-9+
InChIKeyVYMDSYAEQSUDKO-PKNBQFBNSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds5

About (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol

(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol (PubChem CID 174622209) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
PubChem CID174622209
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
SMILESC/C(=C\c1ccc(CN)cc1)CCCO
InChIInChI=1S/C13H19NO/c1-11(3-2-8-15)9-12-4-6-13(10-14)7-5-12/h4-7,9,15H,2-3,8,10,14H2,1H3/b11-9+
InChIKeyVYMDSYAEQSUDKO-PKNBQFBNSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
The IUPAC name of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol (CID 174622209) is (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol.
What is the SMILES notation for (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
The canonical SMILES for (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol is C/C(=C\c1ccc(CN)cc1)CCCO.
What is the InChIKey of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
The InChIKey is VYMDSYAEQSUDKO-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(3-2-8-15)9-12-4-6-13(10-14)7-5-12/h4-7,9,15H,2-3,8,10,14H2,1H3/b11-9+.
What are the key properties of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol is sourced from PubChem (CID 174622209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).