2-heptoxy-N-(3-methoxypropyl)propan-1-amine

C14H31NO2 — CID 62597976

IUPAC2-heptoxy-N-(3-methoxypropyl)propan-1-amine
SMILESCCCCCCCOC(C)CNCCCOC
InChIInChI=1S/C14H31NO2/c1-4-5-6-7-8-12-17-14(2)13-15-10-9-11-16-3/h14-15H,4-13H2,1-3H3
InChIKeyWYBVOOPISJVRLT-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.99
Rot. Bonds13

About 2-heptoxy-N-(3-methoxypropyl)propan-1-amine

2-heptoxy-N-(3-methoxypropyl)propan-1-amine (PubChem CID 62597976) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-heptoxy-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-heptoxy-N-(3-methoxypropyl)propan-1-amine
PubChem CID62597976
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-heptoxy-N-(3-methoxypropyl)propan-1-amine
SMILESCCCCCCCOC(C)CNCCCOC
InChIInChI=1S/C14H31NO2/c1-4-5-6-7-8-12-17-14(2)13-15-10-9-11-16-3/h14-15H,4-13H2,1-3H3
InChIKeyWYBVOOPISJVRLT-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-(2-hexoxypropyl)butan-1-amine
CID 62599346
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
2-hexoxy-N-prop-2-ynylpropan-1-amine
CID 62599532
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
2-butoxy-N-ethylpropan-1-amine
CID 62449884

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-heptoxy-N-(3-methoxypropyl)propan-1-amine (CID 62597976) is 2-heptoxy-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-heptoxy-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-heptoxy-N-(3-methoxypropyl)propan-1-amine is CCCCCCCOC(C)CNCCCOC.
What is the InChIKey of 2-heptoxy-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is WYBVOOPISJVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-4-5-6-7-8-12-17-14(2)13-15-10-9-11-16-3/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-heptoxy-N-(3-methoxypropyl)propan-1-amine?
2-heptoxy-N-(3-methoxypropyl)propan-1-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 2-heptoxy-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 62597976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).