N-(methoxymethyl)hexan-3-amine

C8H19NO — CID 146698528

IUPACN-(methoxymethyl)hexan-3-amine
SMILESCCCC(CC)NCOC
InChIInChI=1S/C8H19NO/c1-4-6-8(5-2)9-7-10-3/h8-9H,4-7H2,1-3H3
InChIKeyQSDRCKYLKNKRIB-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.76
Rot. Bonds6

About N-(methoxymethyl)hexan-3-amine

N-(methoxymethyl)hexan-3-amine (PubChem CID 146698528) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is N-(methoxymethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(methoxymethyl)hexan-3-amine
PubChem CID146698528
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC NameN-(methoxymethyl)hexan-3-amine
SMILESCCCC(CC)NCOC
InChIInChI=1S/C8H19NO/c1-4-6-8(5-2)9-7-10-3/h8-9H,4-7H2,1-3H3
InChIKeyQSDRCKYLKNKRIB-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)hexan-3-amine?
The IUPAC name of N-(methoxymethyl)hexan-3-amine (CID 146698528) is N-(methoxymethyl)hexan-3-amine.
What is the SMILES notation for N-(methoxymethyl)hexan-3-amine?
The canonical SMILES for N-(methoxymethyl)hexan-3-amine is CCCC(CC)NCOC.
What is the InChIKey of N-(methoxymethyl)hexan-3-amine?
The InChIKey is QSDRCKYLKNKRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-8(5-2)9-7-10-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(methoxymethyl)hexan-3-amine?
N-(methoxymethyl)hexan-3-amine has a molecular weight of 145.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)hexan-3-amine is sourced from PubChem (CID 146698528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).