N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine

C13H27NO — CID 66026488

IUPACN-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
SMILESCCCCCCC1(CNCCOC)CC1
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-13(8-9-13)12-14-10-11-15-2/h14H,3-12H2,1-2H3
InChIKeyPNYBLFVTDIBDFU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds10

About N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine

N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine (PubChem CID 66026488) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
PubChem CID66026488
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
SMILESCCCCCCC1(CNCCOC)CC1
InChIInChI=1S/C13H27NO/c1-3-4-5-6-7-13(8-9-13)12-14-10-11-15-2/h14H,3-12H2,1-2H3
InChIKeyPNYBLFVTDIBDFU-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine (CID 66026488) is N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine is CCCCCCC1(CNCCOC)CC1.
What is the InChIKey of N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine?
The InChIKey is PNYBLFVTDIBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-4-5-6-7-13(8-9-13)12-14-10-11-15-2/h14H,3-12H2,1-2H3.
What are the key properties of N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine?
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 66026488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).