N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine

C12H19NO — CID 155119717

IUPACN-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine
SMILESC=C(C)NOCCCC1C=CC=CC1
InChIInChI=1S/C12H19NO/c1-11(2)13-14-10-6-9-12-7-4-3-5-8-12/h3-5,7,12-13H,1,6,8-10H2,2H3
InChIKeyVDZUKOFAYSMGGF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.95
Rot. Bonds6

About N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine

N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine (PubChem CID 155119717) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine
PubChem CID155119717
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine
SMILESC=C(C)NOCCCC1C=CC=CC1
InChIInChI=1S/C12H19NO/c1-11(2)13-14-10-6-9-12-7-4-3-5-8-12/h3-5,7,12-13H,1,6,8-10H2,2H3
InChIKeyVDZUKOFAYSMGGF-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine?
The IUPAC name of N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine (CID 155119717) is N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine.
What is the SMILES notation for N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine?
The canonical SMILES for N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine is C=C(C)NOCCCC1C=CC=CC1.
What is the InChIKey of N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine?
The InChIKey is VDZUKOFAYSMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2)13-14-10-6-9-12-7-4-3-5-8-12/h3-5,7,12-13H,1,6,8-10H2,2H3.
What are the key properties of N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine?
N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-2,4-dien-1-ylpropoxy)prop-1-en-2-amine is sourced from PubChem (CID 155119717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).