(2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine

C11H19NO — CID 142834008

IUPAC(2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine
SMILESC=C/C(CNC)=C(\C=C)OC(C)C
InChIInChI=1S/C11H19NO/c1-6-10(8-12-5)11(7-2)13-9(3)4/h6-7,9,12H,1-2,8H2,3-5H3/b11-10-
InChIKeySCJGHSQLSWXOFD-KHPPLWFESA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds6

About (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine

(2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine (PubChem CID 142834008) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine
PubChem CID142834008
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine
SMILESC=C/C(CNC)=C(\C=C)OC(C)C
InChIInChI=1S/C11H19NO/c1-6-10(8-12-5)11(7-2)13-9(3)4/h6-7,9,12H,1-2,8H2,3-5H3/b11-10-
InChIKeySCJGHSQLSWXOFD-KHPPLWFESA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
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

(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
CID 138727843
ethane;(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975403
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
CID 142018033
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851
(2E,3Z)-2-ethylidene-5-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142207266
ethane;1-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylmethanamine
CID 142253242
(2Z)-2-ethenyl-3-propan-2-yloxypenta-2,4-dien-1-amine
CID 142294662
(2Z)-2-(1-ethoxyethenyl)-N-methylpenta-2,4-dien-1-amine
CID 142412370
6,7-Bis(ethenyl)-2,3,4,5-tetrahydro-1,4-oxazepine;ethane
CID 142483921

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine (CID 142834008) is (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine is C=C/C(CNC)=C(\C=C)OC(C)C.
What is the InChIKey of (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
The InChIKey is SCJGHSQLSWXOFD-KHPPLWFESA-N. The full InChI is InChI=1S/C11H19NO/c1-6-10(8-12-5)11(7-2)13-9(3)4/h6-7,9,12H,1-2,8H2,3-5H3/b11-10-.
What are the key properties of (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine?
(2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-N-methyl-3-propan-2-yloxypenta-2,4-dien-1-amine is sourced from PubChem (CID 142834008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).