(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane

C11H21NO — CID 142810512

IUPAC(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane
SMILESC=C/C(C)=C(/CN)OC.CC1CC1
InChIInChI=1S/C7H13NO.C4H8/c1-4-6(2)7(5-8)9-3;1-4-2-3-4/h4H,1,5,8H2,2-3H3;4H,2-3H2,1H3/b7-6-;
InChIKeyPTNATKWIUBMZSL-NAFXZHHSSA-N
MW183.29 g/mol
LogP2.47
Rot. Bonds3

About (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane

(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane (PubChem CID 142810512) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane.

Molecular Properties

Compound Name(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane
PubChem CID142810512
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane
SMILESC=C/C(C)=C(/CN)OC.CC1CC1
InChIInChI=1S/C7H13NO.C4H8/c1-4-6(2)7(5-8)9-3;1-4-2-3-4/h4H,1,5,8H2,2-3H3;4H,2-3H2,1H3/b7-6-;
InChIKeyPTNATKWIUBMZSL-NAFXZHHSSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
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

(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083
2-aminoacetic acid;methylcyclopropane
CID 153395802
N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
CID 143406800
methoxymethane;methylcyclopropane;propane;propan-2-one
CID 158263455
2-aminoacetic acid;1-methoxy-4-methylcyclohexane
CID 170636646
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
1,1-diethoxy-2-methylbuta-1,3-diene
CID 19609192
1,3-dimethylcyclopentane;ethene;prop-1-ene
CID 143207581
3,4-dimethylpenta-1,3-diene
CID 6713443
N-[(1E)-1-methoxy-2-methylbuta-1,3-dienyl]methanimine;propane
CID 143608728
dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane?
The IUPAC name of (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane (CID 142810512) is (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane.
What is the SMILES notation for (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane?
The canonical SMILES for (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane is C=C/C(C)=C(/CN)OC.CC1CC1.
What is the InChIKey of (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane?
The InChIKey is PTNATKWIUBMZSL-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H13NO.C4H8/c1-4-6(2)7(5-8)9-3;1-4-2-3-4/h4H,1,5,8H2,2-3H3;4H,2-3H2,1H3/b7-6-;.
What are the key properties of (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane?
(2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane has a molecular weight of 183.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxy-3-methylpenta-2,4-dien-1-amine;methylcyclopropane is sourced from PubChem (CID 142810512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).