(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine

C13H25NO — CID 142810533

IUPAC(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
SMILESC=CC(C)O/C(=C\C)C(N)CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-7-10(3)15-12(8-2)11(14)9-13(4,5)6/h7-8,10-11H,1,9,14H2,2-6H3/b12-8-
InChIKeyIPUCKNPNTNZCKJ-WQLSENKSSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds5

About (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine

(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine (PubChem CID 142810533) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine.

Molecular Properties

Compound Name(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
PubChem CID142810533
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine
SMILESC=CC(C)O/C(=C\C)C(N)CC(C)(C)C
InChIInChI=1S/C13H25NO/c1-7-10(3)15-12(8-2)11(14)9-13(4,5)6/h7-8,10-11H,1,9,14H2,2-6H3/b12-8-
InChIKeyIPUCKNPNTNZCKJ-WQLSENKSSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89073385
2,2-Dimethyl-1-(5-methyl-2,3-dihydrofuran-2-yl)propan-1-amine
CID 89205627
6-Methoxy-4-(2,2,4,4-tetramethylcyclobutyl)oxycyclohexa-2,4-dien-1-amine
CID 176983957
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-amine
CID 102647130
1-(3,4-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-1-amine
CID 102647451
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 102648084
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 102648087
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylbutan-1-amine
CID 102648872
1-(2,3-Dihydrofuran-5-yl)-3,3-dimethylbutan-1-amine
CID 102651552
1-(2,3-Dihydrofuran-5-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 102652214
1-(2,3-Dihydrofuran-5-yl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 102652218
(1R)-2,2-dimethyl-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)butan-1-amine
CID 143076623

Frequently Asked Questions

What is the IUPAC name of (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine?
The IUPAC name of (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine (CID 142810533) is (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine.
What is the SMILES notation for (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine?
The canonical SMILES for (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine is C=CC(C)O/C(=C\C)C(N)CC(C)(C)C.
What is the InChIKey of (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine?
The InChIKey is IPUCKNPNTNZCKJ-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-10(3)15-12(8-2)11(14)9-13(4,5)6/h7-8,10-11H,1,9,14H2,2-6H3/b12-8-.
What are the key properties of (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine?
(Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine has a molecular weight of 211.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-but-3-en-2-yloxy-6,6-dimethylhept-2-en-4-amine is sourced from PubChem (CID 142810533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).