heptadecoxymethanamine

C18H39NO — CID 134173154

IUPACheptadecoxymethanamine
SMILESCCCCCCCCCCCCCCCCCOCN
InChIInChI=1S/C18H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19/h2-19H2,1H3
InChIKeyHCFOETZAVAOCDR-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.79
Rot. Bonds17

About heptadecoxymethanamine

heptadecoxymethanamine (PubChem CID 134173154) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is heptadecoxymethanamine.

Molecular Properties

Compound Nameheptadecoxymethanamine
PubChem CID134173154
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Nameheptadecoxymethanamine
SMILESCCCCCCCCCCCCCCCCCOCN
InChIInChI=1S/C18H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19/h2-19H2,1H3
InChIKeyHCFOETZAVAOCDR-UHFFFAOYSA-N
XLogP5.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.79
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

1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-nonoxybutan-1-amine
CID 139664551
4-ethoxybutoxymethanamine
CID 87914089
1-(3-octoxypropoxy)nonane
CID 123372111

Frequently Asked Questions

What is the IUPAC name of heptadecoxymethanamine?
The IUPAC name of heptadecoxymethanamine (CID 134173154) is heptadecoxymethanamine.
What is the SMILES notation for heptadecoxymethanamine?
The canonical SMILES for heptadecoxymethanamine is CCCCCCCCCCCCCCCCCOCN.
What is the InChIKey of heptadecoxymethanamine?
The InChIKey is HCFOETZAVAOCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19/h2-19H2,1H3.
What are the key properties of heptadecoxymethanamine?
heptadecoxymethanamine has a molecular weight of 285.52 g/mol, XLogP of 5.79, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecoxymethanamine is sourced from PubChem (CID 134173154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).