2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine

C15H27NO — CID 155031323

IUPAC2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine
SMILESCCCC1C=CC=C(OCCNC(C)(C)C)C1
InChIInChI=1S/C15H27NO/c1-5-7-13-8-6-9-14(12-13)17-11-10-16-15(2,3)4/h6,8-9,13,16H,5,7,10-12H2,1-4H3
InChIKeyRFOXSAKLIZWZOJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.65
Rot. Bonds6

About 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine

2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine (PubChem CID 155031323) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine
PubChem CID155031323
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine
SMILESCCCC1C=CC=C(OCCNC(C)(C)C)C1
InChIInChI=1S/C15H27NO/c1-5-7-13-8-6-9-14(12-13)17-11-10-16-15(2,3)4/h6,8-9,13,16H,5,7,10-12H2,1-4H3
InChIKeyRFOXSAKLIZWZOJ-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine (CID 155031323) is 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine is CCCC1C=CC=C(OCCNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine?
The InChIKey is RFOXSAKLIZWZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-7-13-8-6-9-14(12-13)17-11-10-16-15(2,3)4/h6,8-9,13,16H,5,7,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine?
2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine is sourced from PubChem (CID 155031323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).