1-cyclopropyl-2-(4-methylpentoxy)ethanamine

C11H23NO — CID 63906046

IUPAC1-cyclopropyl-2-(4-methylpentoxy)ethanamine
SMILESCC(C)CCCOCC(N)C1CC1
InChIInChI=1S/C11H23NO/c1-9(2)4-3-7-13-8-11(12)10-5-6-10/h9-11H,3-8,12H2,1-2H3
InChIKeyCYHKUPGZFBGCTM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds7

About 1-cyclopropyl-2-(4-methylpentoxy)ethanamine

1-cyclopropyl-2-(4-methylpentoxy)ethanamine (PubChem CID 63906046) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-methylpentoxy)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-methylpentoxy)ethanamine
PubChem CID63906046
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-cyclopropyl-2-(4-methylpentoxy)ethanamine
SMILESCC(C)CCCOCC(N)C1CC1
InChIInChI=1S/C11H23NO/c1-9(2)4-3-7-13-8-11(12)10-5-6-10/h9-11H,3-8,12H2,1-2H3
InChIKeyCYHKUPGZFBGCTM-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
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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Related Compounds

2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
1-(2,3-dimethylbutoxy)-4-methylpentane
CID 157134146
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
1-cyclohexyl-2-(2-methoxyethoxy)ethanamine
CID 104748661
1-(4,4-dimethylcyclohexyl)-2-propoxyethanamine
CID 79575349
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
2-methyl-6-(2-methylpropoxy)hexan-3-amine
CID 106454407

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-methylpentoxy)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(4-methylpentoxy)ethanamine (CID 63906046) is 1-cyclopropyl-2-(4-methylpentoxy)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(4-methylpentoxy)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(4-methylpentoxy)ethanamine is CC(C)CCCOCC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-methylpentoxy)ethanamine?
The InChIKey is CYHKUPGZFBGCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)4-3-7-13-8-11(12)10-5-6-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4-methylpentoxy)ethanamine?
1-cyclopropyl-2-(4-methylpentoxy)ethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-methylpentoxy)ethanamine is sourced from PubChem (CID 63906046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).