(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol

C17H29NO — CID 143361098

IUPAC(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol
SMILESCCC(C)C(N)/C=C(/O)C1C=CC(C(C)C)=CC1C
InChIInChI=1S/C17H29NO/c1-6-12(4)16(18)10-17(19)15-8-7-14(11(2)3)9-13(15)5/h7-13,15-16,19H,6,18H2,1-5H3/b17-10+
InChIKeyBKIBUDXGZAOPFB-LICLKQGHSA-N
MW263.43 g/mol
LogP4.21
Rot. Bonds5

About (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol

(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol (PubChem CID 143361098) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol
PubChem CID143361098
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol
SMILESCCC(C)C(N)/C=C(/O)C1C=CC(C(C)C)=CC1C
InChIInChI=1S/C17H29NO/c1-6-12(4)16(18)10-17(19)15-8-7-14(11(2)3)9-13(15)5/h7-13,15-16,19H,6,18H2,1-5H3/b17-10+
InChIKeyBKIBUDXGZAOPFB-LICLKQGHSA-N
XLogP4.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(6-Amino-2-methylcyclohexa-2,4-dien-1-yl)methanol
CID 132264489
[(6S)-6-amino-2-methylcyclohexa-2,4-dien-1-yl]methanol
CID 134550730
(E)-1-(6-amino-4-propan-2-ylcyclohexa-2,4-dien-1-yl)but-1-en-1-ol;ethane
CID 143356830
5-[(Z)-3-aminobut-1-enyl]-2,3,4,6-tetramethylcyclohexa-1,5-diene-1,4-diol
CID 163436957
4-[4-(1-Aminoprop-2-enyl)cyclohexa-1,4-dien-1-yl]cyclohepta-1,3,5-trien-1-ol
CID 163630216
(E)-1-(6-amino-4-propan-2-ylcyclohexa-2,4-dien-1-yl)but-1-en-1-ol
CID 143356831

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?
The IUPAC name of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol (CID 143361098) is (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol.
What is the SMILES notation for (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?
The canonical SMILES for (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol is CCC(C)C(N)/C=C(/O)C1C=CC(C(C)C)=CC1C.
What is the InChIKey of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?
The InChIKey is BKIBUDXGZAOPFB-LICLKQGHSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-12(4)16(18)10-17(19)15-8-7-14(11(2)3)9-13(15)5/h7-13,15-16,19H,6,18H2,1-5H3/b17-10+.
What are the key properties of (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol?
(E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol has a molecular weight of 263.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-4-methyl-1-(6-methyl-4-propan-2-ylcyclohexa-2,4-dien-1-yl)hex-1-en-1-ol is sourced from PubChem (CID 143361098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).