(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine

C16H33NO — CID 81393303

IUPAC(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCC(C)CCOCCN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C16H33NO/c1-14(2)10-12-18-13-11-17-15(3)16-8-6-4-5-7-9-16/h14-17H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyLLJXFGREDOXXTA-HNNXBMFYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine (PubChem CID 81393303) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
PubChem CID81393303
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCC(C)CCOCCN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C16H33NO/c1-14(2)10-12-18-13-11-17-15(3)16-8-6-4-5-7-9-16/h14-17H,4-13H2,1-3H3/t15-/m0/s1
InChIKeyLLJXFGREDOXXTA-HNNXBMFYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
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

(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103179279
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
CID 62632435
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine (CID 81393303) is (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine is CC(C)CCOCCN[C@@H](C)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The InChIKey is LLJXFGREDOXXTA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)10-12-18-13-11-17-15(3)16-8-6-4-5-7-9-16/h14-17H,4-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine is sourced from PubChem (CID 81393303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).