N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene

C11H25NO — CID 169113520

IUPACN-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene
SMILESC=CCCOC.CCNCC(C)C
InChIInChI=1S/C6H15N.C5H10O/c1-4-7-5-6(2)3;1-3-4-5-6-2/h6-7H,4-5H2,1-3H3;3H,1,4-5H2,2H3
InChIKeyJCIRRUGAFYLUMX-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene

N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene (PubChem CID 169113520) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene.

Molecular Properties

Compound NameN-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene
PubChem CID169113520
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene
SMILESC=CCCOC.CCNCC(C)C
InChIInChI=1S/C6H15N.C5H10O/c1-4-7-5-6(2)3;1-3-4-5-6-2/h6-7H,4-5H2,1-3H3;3H,1,4-5H2,2H3
InChIKeyJCIRRUGAFYLUMX-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine
CID 18316425
(3E,5E,7Z)-N-ethyl-10-methoxydeca-3,5,7-trien-1-amine
CID 90061159
(Z)-6-methoxy-N-methylhex-3-en-1-amine
CID 117267285
N-ethyl-4-[4-(ethylamino)but-1-enoxy]but-3-en-1-amine
CID 141573593
3-methoxy-2-methyl-N-propylpropan-1-amine;prop-1-ene
CID 144357961
1-methoxy-N-methylbut-3-en-1-amine
CID 175234574
N-butyl-4-methoxybut-3-en-1-amine
CID 54305017
3-methoxy-2-methyl-N-prop-2-enylpropan-1-amine
CID 62139749
3-but-3-enoxy-N-methylpropan-1-amine
CID 62440751
3-but-3-enoxy-N-ethylpropan-1-amine
CID 62440752
4-but-3-enoxy-N-ethylbutan-1-amine
CID 62441673
4-but-3-enoxy-N-propylbutan-1-amine
CID 62441674

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene?
The IUPAC name of N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene (CID 169113520) is N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene.
What is the SMILES notation for N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene?
The canonical SMILES for N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene is C=CCCOC.CCNCC(C)C.
What is the InChIKey of N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene?
The InChIKey is JCIRRUGAFYLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H10O/c1-4-7-5-6(2)3;1-3-4-5-6-2/h6-7H,4-5H2,1-3H3;3H,1,4-5H2,2H3.
What are the key properties of N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene?
N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene has a molecular weight of 187.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropan-1-amine;4-methoxybut-1-ene is sourced from PubChem (CID 169113520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).