N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine

C10H19NO — CID 90742949

IUPACN-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
SMILESC=C(C=CC)CN(CC)COC
InChIInChI=1S/C10H19NO/c1-5-7-10(3)8-11(6-2)9-12-4/h5,7H,3,6,8-9H2,1-2,4H3
InChIKeySOBYPDSXAIWZBS-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine

N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine (PubChem CID 90742949) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
PubChem CID90742949
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine
SMILESC=C(C=CC)CN(CC)COC
InChIInChI=1S/C10H19NO/c1-5-7-10(3)8-11(6-2)9-12-4/h5,7H,3,6,8-9H2,1-2,4H3
InChIKeySOBYPDSXAIWZBS-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 21399648
(2E,3Z)-2-ethylidene-N-(2-fluoroethyl)-N,5-dimethylhexa-3,5-dien-1-amine
CID 155197917
(2E)-N,N-diethyl-4-methylpenta-2,4-dien-1-amine
CID 13023821
lithium N-(phenylmethyl)-N-propylpropan-1-amine
CID 21399633
lithium N-ethyl-N-(phenylmethyl)ethanamine
CID 22923055
N,N,4,5-tetramethylhexa-2,4-dien-1-amine
CID 53903817
lithium N-ethyl-N-[(3-methylbenzene-6-id-1-yl)methyl]ethanamine
CID 57534768
lithium N-ethyl-N-[(3-methylbenzene-2-id-1-yl)methyl]ethanamine
CID 57534868
(2E,4E)-N,N,3-trimethylhexa-2,4-dien-1-amine
CID 58885299
N,N,2,3-tetramethylhexa-2,4-dien-1-amine
CID 58898608
3-Methyl-5-methylidene-1-(2-methylprop-2-enyl)-2,6-dihydropyridine
CID 68275258
(2E,4E,6E)-N,N,3,6-tetramethylocta-2,4,6-trien-1-amine
CID 89059042

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine?
The IUPAC name of N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine (CID 90742949) is N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine.
What is the SMILES notation for N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine?
The canonical SMILES for N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine is C=C(C=CC)CN(CC)COC.
What is the InChIKey of N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine?
The InChIKey is SOBYPDSXAIWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-10(3)8-11(6-2)9-12-4/h5,7H,3,6,8-9H2,1-2,4H3.
What are the key properties of N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine?
N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(methoxymethyl)-2-methylidenepent-3-en-1-amine is sourced from PubChem (CID 90742949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).