N-(heptoxymethyl)ethanamine

C10H23NO — CID 123451436

IUPACN-(heptoxymethyl)ethanamine
SMILESCCCCCCCOCNCC
InChIInChI=1S/C10H23NO/c1-3-5-6-7-8-9-12-10-11-4-2/h11H,3-10H2,1-2H3
InChIKeyAXOSXNWVGWNARN-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.54
Rot. Bonds9

About N-(heptoxymethyl)ethanamine

N-(heptoxymethyl)ethanamine (PubChem CID 123451436) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(heptoxymethyl)ethanamine.

Molecular Properties

Compound NameN-(heptoxymethyl)ethanamine
PubChem CID123451436
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(heptoxymethyl)ethanamine
SMILESCCCCCCCOCNCC
InChIInChI=1S/C10H23NO/c1-3-5-6-7-8-9-12-10-11-4-2/h11H,3-10H2,1-2H3
InChIKeyAXOSXNWVGWNARN-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 159860963
CID 159860963
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
N-methyl-1-pentoxymethanamine
CID 88850300
N-(pentoxymethyl)formamide
CID 174736393
CID 159036796
CID 159036796

Frequently Asked Questions

What is the IUPAC name of N-(heptoxymethyl)ethanamine?
The IUPAC name of N-(heptoxymethyl)ethanamine (CID 123451436) is N-(heptoxymethyl)ethanamine.
What is the SMILES notation for N-(heptoxymethyl)ethanamine?
The canonical SMILES for N-(heptoxymethyl)ethanamine is CCCCCCCOCNCC.
What is the InChIKey of N-(heptoxymethyl)ethanamine?
The InChIKey is AXOSXNWVGWNARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-6-7-8-9-12-10-11-4-2/h11H,3-10H2,1-2H3.
What are the key properties of N-(heptoxymethyl)ethanamine?
N-(heptoxymethyl)ethanamine has a molecular weight of 173.30 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(heptoxymethyl)ethanamine is sourced from PubChem (CID 123451436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).