(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

C11H19NO — CID 145148215

IUPAC(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)/C(CN)=C(\C=C(C)C)OC
InChIInChI=1S/C11H19NO/c1-8(2)6-11(13-5)10(7-12)9(3)4/h6H,3,7,12H2,1-2,4-5H3/b11-10+
InChIKeyFKMDILMHEXFQOX-ZHACJKMWSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds4

About (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine

(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (PubChem CID 145148215) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
PubChem CID145148215
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
SMILESC=C(C)/C(CN)=C(\C=C(C)C)OC
InChIInChI=1S/C11H19NO/c1-8(2)6-11(13-5)10(7-12)9(3)4/h6H,3,7,12H2,1-2,4-5H3/b11-10+
InChIKeyFKMDILMHEXFQOX-ZHACJKMWSA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
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

2-ethoxy-4-methylpenta-1,3-diene
CID 90130900
(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142345923
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
3-methoxy-2-methylhexa-2,4-dien-1-amine
CID 123607717
(3E)-3,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine;ethane
CID 142423701
(E)-5-chloro-4-prop-1-en-2-ylhex-4-en-2-one
CID 144751840
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213
(2E,4Z)-2-(aminomethyl)-3-methoxy-5-(methylamino)hexa-2,4-dienal
CID 144683567
(3Z)-5-ethoxy-2,3-dimethylhexa-1,3,5-triene
CID 143876381
(2Z,3E)-2-ethylidene-3,5-dimethoxyhexa-3,5-dien-1-amine
CID 176960819
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
ethane;1-methoxyethenamine;2-methylprop-1-en-1-amine
CID 168977027

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine (CID 145148215) is (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is C=C(C)/C(CN)=C(\C=C(C)C)OC.
What is the InChIKey of (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
The InChIKey is FKMDILMHEXFQOX-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)6-11(13-5)10(7-12)9(3)4/h6H,3,7,12H2,1-2,4-5H3/b11-10+.
What are the key properties of (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine?
(2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methoxy-5-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 145148215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).