4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine

C17H29NO — CID 147568445

IUPAC4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine
SMILESCOC1=CC=C(CCNCCCCC2CC2)C(C)C1
InChIInChI=1S/C17H29NO/c1-14-13-17(19-2)9-8-16(14)10-12-18-11-4-3-5-15-6-7-15/h8-9,14-15,18H,3-7,10-13H2,1-2H3
InChIKeyFUAPARMUYSZSBT-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.04
Rot. Bonds9

About 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine

4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine (PubChem CID 147568445) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine
PubChem CID147568445
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine
SMILESCOC1=CC=C(CCNCCCCC2CC2)C(C)C1
InChIInChI=1S/C17H29NO/c1-14-13-17(19-2)9-8-16(14)10-12-18-11-4-3-5-15-6-7-15/h8-9,14-15,18H,3-7,10-13H2,1-2H3
InChIKeyFUAPARMUYSZSBT-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine with MolForge

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Related Compounds

3-[5-(cyclohexylmethoxy)cyclohexa-2,4-dien-1-yl]-N-methylpropan-1-amine
CID 130373192
2-(4-methoxy-5-methylcyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142187162
(3R)-3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143300286
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143507278
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine
CID 143507279
ethane;N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine;molecular hydrogen
CID 143806748
4-(3-Methoxyhex-3-enyl)piperidine
CID 145206367
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
CID 145385143
CID 176570021
CID 176570021
(3R)-3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine
CID 143300287
N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hexan-1-amine
CID 143806749
CID 176570022
CID 176570022

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine?
The IUPAC name of 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine (CID 147568445) is 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine is COC1=CC=C(CCNCCCCC2CC2)C(C)C1.
What is the InChIKey of 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine?
The InChIKey is FUAPARMUYSZSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14-13-17(19-2)9-8-16(14)10-12-18-11-4-3-5-15-6-7-15/h8-9,14-15,18H,3-7,10-13H2,1-2H3.
What are the key properties of 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine?
4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[2-(4-methoxy-6-methylcyclohexa-1,3-dien-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 147568445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).