N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine

C17H29NO — CID 126706515

IUPACN-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
SMILESC=CC(C)CC(C)(C)NCCCOC1=CCCC=C1
InChIInChI=1S/C17H29NO/c1-5-15(2)14-17(3,4)18-12-9-13-19-16-10-7-6-8-11-16/h5,7,10-11,15,18H,1,6,8-9,12-14H2,2-4H3
InChIKeyYLIZTWYNCQHLQG-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.21
Rot. Bonds9

About N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine

N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine (PubChem CID 126706515) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
PubChem CID126706515
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
SMILESC=CC(C)CC(C)(C)NCCCOC1=CCCC=C1
InChIInChI=1S/C17H29NO/c1-5-15(2)14-17(3,4)18-12-9-13-19-16-10-7-6-8-11-16/h5,7,10-11,15,18H,1,6,8-9,12-14H2,2-4H3
InChIKeyYLIZTWYNCQHLQG-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine?
The IUPAC name of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine (CID 126706515) is N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine.
What is the SMILES notation for N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine?
The canonical SMILES for N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine is C=CC(C)CC(C)(C)NCCCOC1=CCCC=C1.
What is the InChIKey of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine?
The InChIKey is YLIZTWYNCQHLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-15(2)14-17(3,4)18-12-9-13-19-16-10-7-6-8-11-16/h5,7,10-11,15,18H,1,6,8-9,12-14H2,2-4H3.
What are the key properties of N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine?
N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine is sourced from PubChem (CID 126706515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).