1-methoxy-N-(2-octoxyethyl)propan-2-amine

C14H31NO2 — CID 62599716

IUPAC1-methoxy-N-(2-octoxyethyl)propan-2-amine
SMILESCCCCCCCCOCCNC(C)COC
InChIInChI=1S/C14H31NO2/c1-4-5-6-7-8-9-11-17-12-10-15-14(2)13-16-3/h14-15H,4-13H2,1-3H3
InChIKeyHGOWOPUZVYGHQU-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds13

About 1-methoxy-N-(2-octoxyethyl)propan-2-amine

1-methoxy-N-(2-octoxyethyl)propan-2-amine (PubChem CID 62599716) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-methoxy-N-(2-octoxyethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(2-octoxyethyl)propan-2-amine
PubChem CID62599716
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-methoxy-N-(2-octoxyethyl)propan-2-amine
SMILESCCCCCCCCOCCNC(C)COC
InChIInChI=1S/C14H31NO2/c1-4-5-6-7-8-9-11-17-12-10-15-14(2)13-16-3/h14-15H,4-13H2,1-3H3
InChIKeyHGOWOPUZVYGHQU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
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-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
N-(2-decoxyethyl)propan-2-amine
CID 63399572
N-[2-(2-octoxyethoxy)ethyl]propan-2-amine
CID 156795483
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-ethoxypropan-2-amine
CID 104562069
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
1-methoxy-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-2-amine
CID 106450224
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
CID 159860963
CID 159860963
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(2-octoxyethyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-(2-octoxyethyl)propan-2-amine (CID 62599716) is 1-methoxy-N-(2-octoxyethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-(2-octoxyethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-(2-octoxyethyl)propan-2-amine is CCCCCCCCOCCNC(C)COC.
What is the InChIKey of 1-methoxy-N-(2-octoxyethyl)propan-2-amine?
The InChIKey is HGOWOPUZVYGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-4-5-6-7-8-9-11-17-12-10-15-14(2)13-16-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-methoxy-N-(2-octoxyethyl)propan-2-amine?
1-methoxy-N-(2-octoxyethyl)propan-2-amine has a molecular weight of 245.41 g/mol, XLogP of 2.99, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-octoxyethyl)propan-2-amine is sourced from PubChem (CID 62599716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).