N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine

C11H19NO — CID 143406800

IUPACN-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
SMILESC=C/C(OC)=C(\C)N(CC)C1CC1
InChIInChI=1S/C11H19NO/c1-5-11(13-4)9(3)12(6-2)10-7-8-10/h5,10H,1,6-8H2,2-4H3/b11-9-
InChIKeyQGFSBYYRUNNHHC-LUAWRHEFSA-N
MW181.28 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine

N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine (PubChem CID 143406800) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
PubChem CID143406800
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
SMILESC=C/C(OC)=C(\C)N(CC)C1CC1
InChIInChI=1S/C11H19NO/c1-5-11(13-4)9(3)12(6-2)10-7-8-10/h5,10H,1,6-8H2,2-4H3/b11-9-
InChIKeyQGFSBYYRUNNHHC-LUAWRHEFSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3E)-4-methylhexa-1,3-dien-3-yl]cyclohexane-1,4-diamine
CID 155215817
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
N-(4-aminocyclohexyl)-N-ethyl-2-methylpent-2-enamide
CID 79115434
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane
CID 142810512
N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile
CID 146420501
N-cyclopropyl-N-ethyl-N'-(2-methylprop-1-enyl)propanimidamide;ethane
CID 143695836
1-cyclopropyl-3-ethyl-3-methyl-1-prop-2-enylurea
CID 116657097
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
N-cyclopentyl-N-ethyl-2-(prop-2-enoylamino)pentanamide
CID 154779010

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
The IUPAC name of N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine (CID 143406800) is N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine.
What is the SMILES notation for N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
The canonical SMILES for N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine is C=C/C(OC)=C(\C)N(CC)C1CC1.
What is the InChIKey of N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
The InChIKey is QGFSBYYRUNNHHC-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-11(13-4)9(3)12(6-2)10-7-8-10/h5,10H,1,6-8H2,2-4H3/b11-9-.
What are the key properties of N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine?
N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine has a molecular weight of 181.28 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine is sourced from PubChem (CID 143406800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).