(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine

C13H27NO — CID 137471184

IUPAC(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine
SMILESCC(C)COC/C=C/CN(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-12(2)10-14(5)8-6-7-9-15-11-13(3)4/h6-7,12-13H,8-11H2,1-5H3/b7-6+
InChIKeyFSPPACILVYWWHP-VOTSOKGWSA-N
MW213.36 g/mol
LogP2.80
Rot. Bonds8

About (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine

(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine (PubChem CID 137471184) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine
PubChem CID137471184
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine
SMILESCC(C)COC/C=C/CN(C)CC(C)C
InChIInChI=1S/C13H27NO/c1-12(2)10-14(5)8-6-7-9-15-11-13(3)4/h6-7,12-13H,8-11H2,1-5H3/b7-6+
InChIKeyFSPPACILVYWWHP-VOTSOKGWSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-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

(E)-N,N-diethyl-3-methyl-4-prop-2-enoxybut-2-en-1-amine
CID 14658341
(E)-N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
CID 14658337
N,N-diethyl-3-methyl-4-prop-2-enoxybut-2-en-1-amine
CID 53691533
N,N-diethyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-amine
CID 56626084
N-methyl-N-(1-prop-2-enoxyethyl)prop-2-en-1-amine
CID 121299834
N-ethyl-N-(1-prop-2-enoxyethyl)prop-2-en-1-amine
CID 121299860
(E)-N,N-dimethyl-4-(2-methylpropoxy)but-2-en-1-amine
CID 137471065
N,N-diethyl-1-prop-2-enoxypropan-1-amine
CID 139707320
N-ethyl-N-methyl-3-prop-2-enoxypropan-1-amine
CID 139904425
N,N-diethyl-3-prop-2-enoxypropan-1-amine
CID 140286809
N-[[(E)-but-2-enoxy]methyl]-N-propylpropan-1-amine
CID 156339725
(E)-N-methyl-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-en-1-amine
CID 156566763

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine?
The IUPAC name of (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine (CID 137471184) is (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine is CC(C)COC/C=C/CN(C)CC(C)C.
What is the InChIKey of (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine?
The InChIKey is FSPPACILVYWWHP-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)10-14(5)8-6-7-9-15-11-13(3)4/h6-7,12-13H,8-11H2,1-5H3/b7-6+.
What are the key properties of (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine?
(E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)but-2-en-1-amine is sourced from PubChem (CID 137471184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).