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

C15H31NO2 — CID 103179279

IUPAC(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
SMILESCOCCCOCCN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C15H31NO2/c1-14(15-8-5-3-4-6-9-15)16-10-13-18-12-7-11-17-2/h14-16H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyLMTWKIWTRWSSAW-AWEZNQCLSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds9

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

(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine (PubChem CID 103179279) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
PubChem CID103179279
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine
SMILESCOCCCOCCN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C15H31NO2/c1-14(15-8-5-3-4-6-9-15)16-10-13-18-12-7-11-17-2/h14-16H,3-13H2,1-2H3/t14-/m0/s1
InChIKeyLMTWKIWTRWSSAW-AWEZNQCLSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-3-methoxypropan-1-amine
CID 81396367
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
N-(1-cyclopentylethyl)-4-methoxybutan-1-amine
CID 62633924
(1S)-1-cycloheptyl-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81393303
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
(1S)-1-cyclohexyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 81384150
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
N-cyclopropyl-2-[2-(3-methoxypropoxy)ethylamino]propanamide
CID 103179410
N-(1-cyclopentylethyl)-3-(2-methylpropoxy)propan-1-amine
CID 62632435
N-[2-(3-methoxypropoxy)ethyl]but-3-yn-2-amine
CID 103179557

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine (CID 103179279) is (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine is COCCCOCCN[C@@H](C)C1CCCCCC1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
The InChIKey is LMTWKIWTRWSSAW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(15-8-5-3-4-6-9-15)16-10-13-18-12-7-11-17-2/h14-16H,3-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[2-(3-methoxypropoxy)ethyl]ethanamine is sourced from PubChem (CID 103179279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).