(1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine

C10H19NO — CID 130260835

IUPAC(1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine
SMILESC=C(C)/C=C\NCCOCCC
InChIInChI=1S/C10H19NO/c1-4-8-12-9-7-11-6-5-10(2)3/h5-6,11H,2,4,7-9H2,1,3H3/b6-5-
InChIKeyXSMOWRZTAJWCEC-WAYWQWQTSA-N
MW169.27 g/mol
LogP2.09
Rot. Bonds7

About (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine

(1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine (PubChem CID 130260835) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine
PubChem CID130260835
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine
SMILESC=C(C)/C=C\NCCOCCC
InChIInChI=1S/C10H19NO/c1-4-8-12-9-7-11-6-5-10(2)3/h5-6,11H,2,4,7-9H2,1,3H3/b6-5-
InChIKeyXSMOWRZTAJWCEC-WAYWQWQTSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine (CID 130260835) is (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine is C=C(C)/C=C\NCCOCCC.
What is the InChIKey of (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine?
The InChIKey is XSMOWRZTAJWCEC-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8-12-9-7-11-6-5-10(2)3/h5-6,11H,2,4,7-9H2,1,3H3/b6-5-.
What are the key properties of (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine?
(1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-N-(2-propoxyethyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 130260835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).