1-ethoxy-7-methyl-N-propyloctan-4-amine

C14H31NO — CID 105127229

IUPAC1-ethoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCOCC)CCC(C)C
InChIInChI=1S/C14H31NO/c1-5-11-15-14(10-9-13(3)4)8-7-12-16-6-2/h13-15H,5-12H2,1-4H3
InChIKeyCJCUUFQYMSFQKL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.61
Rot. Bonds11

About 1-ethoxy-7-methyl-N-propyloctan-4-amine

1-ethoxy-7-methyl-N-propyloctan-4-amine (PubChem CID 105127229) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-ethoxy-7-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name1-ethoxy-7-methyl-N-propyloctan-4-amine
PubChem CID105127229
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-ethoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCOCC)CCC(C)C
InChIInChI=1S/C14H31NO/c1-5-11-15-14(10-9-13(3)4)8-7-12-16-6-2/h13-15H,5-12H2,1-4H3
InChIKeyCJCUUFQYMSFQKL-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.61
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

1-ethoxy-N-propyloct-7-en-4-amine
CID 105153556
(1-ethoxy-7-methyloctan-4-yl)hydrazine
CID 105294202
1-propoxy-N-propylheptan-4-amine
CID 79568616
5-methyl-1-propoxy-N-propylhexan-2-amine
CID 62605077
1-ethoxy-6-methylidene-N-propyloctan-4-amine
CID 105164104
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
9-methyl-N-propyldecan-5-amine
CID 83162126
1-ethoxy-N-ethylundecan-4-amine
CID 105124652
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
N-(3-butoxypropyl)heptan-4-amine
CID 115676243

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-7-methyl-N-propyloctan-4-amine?
The IUPAC name of 1-ethoxy-7-methyl-N-propyloctan-4-amine (CID 105127229) is 1-ethoxy-7-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 1-ethoxy-7-methyl-N-propyloctan-4-amine?
The canonical SMILES for 1-ethoxy-7-methyl-N-propyloctan-4-amine is CCCNC(CCCOCC)CCC(C)C.
What is the InChIKey of 1-ethoxy-7-methyl-N-propyloctan-4-amine?
The InChIKey is CJCUUFQYMSFQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-11-15-14(10-9-13(3)4)8-7-12-16-6-2/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-ethoxy-7-methyl-N-propyloctan-4-amine?
1-ethoxy-7-methyl-N-propyloctan-4-amine has a molecular weight of 229.41 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 105127229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).