N-methyl-1-pentoxymethanamine

C7H17NO — CID 88850300

IUPACN-methyl-1-pentoxymethanamine
SMILESCCCCCOCNC
InChIInChI=1S/C7H17NO/c1-3-4-5-6-9-7-8-2/h8H,3-7H2,1-2H3
InChIKeyIHSPRFTZUHDWNF-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.37
Rot. Bonds6

About N-methyl-1-pentoxymethanamine

N-methyl-1-pentoxymethanamine (PubChem CID 88850300) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-methyl-1-pentoxymethanamine.

Molecular Properties

Compound NameN-methyl-1-pentoxymethanamine
PubChem CID88850300
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-methyl-1-pentoxymethanamine
SMILESCCCCCOCNC
InChIInChI=1S/C7H17NO/c1-3-4-5-6-9-7-8-2/h8H,3-7H2,1-2H3
InChIKeyIHSPRFTZUHDWNF-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.37
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
N-methyl-2-octadecoxyethanamine
CID 175550654
1-pentoxy-N-propoxymethanamine
CID 138714447
2-decoxy-N-methylethanamine
CID 62337581
N-(heptoxymethyl)ethanamine
CID 123451436
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pentoxymethanamine?
The IUPAC name of N-methyl-1-pentoxymethanamine (CID 88850300) is N-methyl-1-pentoxymethanamine.
What is the SMILES notation for N-methyl-1-pentoxymethanamine?
The canonical SMILES for N-methyl-1-pentoxymethanamine is CCCCCOCNC.
What is the InChIKey of N-methyl-1-pentoxymethanamine?
The InChIKey is IHSPRFTZUHDWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-4-5-6-9-7-8-2/h8H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-pentoxymethanamine?
N-methyl-1-pentoxymethanamine has a molecular weight of 131.22 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pentoxymethanamine is sourced from PubChem (CID 88850300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).