(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine

C12H21NO — CID 89153811

IUPAC(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine
SMILESCCC(N)/C(C)=C(/C)CC1=CCCO1
InChIInChI=1S/C12H21NO/c1-4-12(13)10(3)9(2)8-11-6-5-7-14-11/h6,12H,4-5,7-8,13H2,1-3H3/b10-9-
InChIKeyZFNXKRGDZVGWJD-KTKRTIGZSA-N
MW195.31 g/mol
LogP2.75
Rot. Bonds4

About (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine

(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine (PubChem CID 89153811) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine.

Molecular Properties

Compound Name(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine
PubChem CID89153811
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine
SMILESCCC(N)/C(C)=C(/C)CC1=CCCO1
InChIInChI=1S/C12H21NO/c1-4-12(13)10(3)9(2)8-11-6-5-7-14-11/h6,12H,4-5,7-8,13H2,1-3H3/b10-9-
InChIKeyZFNXKRGDZVGWJD-KTKRTIGZSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-Methylpropan-2-yl)oxy]cyclohexa-1,4-dien-1-yl]ethanamine
CID 19918604
1-[(1S)-1-aminoethyl]-4-methoxy-1,4-cyclohexadiene
CID 54552279
(1R)-1-(2,3-dimethyl-2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
CID 89017377
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389
(1R)-2-methyl-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017392
(5Z)-8-[(1Z)-buta-1,3-dienoxy]-5-methylocta-1,5-dien-4-amine
CID 89154086
(1S)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
CID 89246236
(Z,2S)-3-ethenylidene-5-ethoxyhept-5-en-2-amine
CID 89260329
(Z)-3-methylidene-1-[(2E)-4-methylpenta-2,4-dien-2-yl]oxyhex-4-en-2-amine
CID 132206344
Ethane;1-(4-methoxycyclohexa-1,4-dien-1-yl)ethanamine
CID 141794460
(Z)-4-ethoxy-2-methylhex-4-en-3-amine
CID 142810073
(Z,3R)-4-ethoxyhex-4-en-3-amine
CID 142810338

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine?
The IUPAC name of (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine (CID 89153811) is (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine.
What is the SMILES notation for (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine?
The canonical SMILES for (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine is CCC(N)/C(C)=C(/C)CC1=CCCO1.
What is the InChIKey of (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine?
The InChIKey is ZFNXKRGDZVGWJD-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-12(13)10(3)9(2)8-11-6-5-7-14-11/h6,12H,4-5,7-8,13H2,1-3H3/b10-9-.
What are the key properties of (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine?
(Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(2,3-dihydrofuran-5-yl)-4,5-dimethylhex-4-en-3-amine is sourced from PubChem (CID 89153811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).