N,N-diethyl-4-methoxybut-1-en-2-amine

C9H19NO — CID 166967551

IUPACN,N-diethyl-4-methoxybut-1-en-2-amine
SMILESC=C(CCOC)N(CC)CC
InChIInChI=1S/C9H19NO/c1-5-10(6-2)9(3)7-8-11-4/h3,5-8H2,1-2,4H3
InChIKeyXHGOROWDLYMHSC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.88
Rot. Bonds6

About N,N-diethyl-4-methoxybut-1-en-2-amine

N,N-diethyl-4-methoxybut-1-en-2-amine (PubChem CID 166967551) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,N-diethyl-4-methoxybut-1-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-methoxybut-1-en-2-amine
PubChem CID166967551
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,N-diethyl-4-methoxybut-1-en-2-amine
SMILESC=C(CCOC)N(CC)CC
InChIInChI=1S/C9H19NO/c1-5-10(6-2)9(3)7-8-11-4/h3,5-8H2,1-2,4H3
InChIKeyXHGOROWDLYMHSC-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-N-methylbut-1-en-2-amine
CID 57999204
4-methoxy-N,N-dimethylbut-1-en-2-amine
CID 88583232
Ethane;3-methyl-4-methylidene-1,3-oxazinane
CID 91251354
(4E)-N-ethyl-5-methoxy-N-methylpenta-1,4-dien-2-amine
CID 117753532
N,N-diethyl-4,4-dimethoxybut-1-en-2-amine
CID 141218047
ethane;N-(3-methoxypropyl)-N-prop-1-en-2-ylbutan-1-amine
CID 142132517
4-methoxy-N-(2-methoxyethyl)-N-methylbut-1-en-2-amine
CID 142359165
(Z)-N-butyl-1-methoxy-N-methylpent-1-en-2-amine
CID 144290987
3-methoxy-N-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 146552726
4-methoxy-N,N-dipropylbut-1-en-2-amine
CID 166967555
4-propoxy-N,N-dipropylbut-1-en-2-amine
CID 166996467
4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine
CID 166996902

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methoxybut-1-en-2-amine?
The IUPAC name of N,N-diethyl-4-methoxybut-1-en-2-amine (CID 166967551) is N,N-diethyl-4-methoxybut-1-en-2-amine.
What is the SMILES notation for N,N-diethyl-4-methoxybut-1-en-2-amine?
The canonical SMILES for N,N-diethyl-4-methoxybut-1-en-2-amine is C=C(CCOC)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-methoxybut-1-en-2-amine?
The InChIKey is XHGOROWDLYMHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-10(6-2)9(3)7-8-11-4/h3,5-8H2,1-2,4H3.
What are the key properties of N,N-diethyl-4-methoxybut-1-en-2-amine?
N,N-diethyl-4-methoxybut-1-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methoxybut-1-en-2-amine is sourced from PubChem (CID 166967551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).