7-methyl-N-octan-2-yloctan-1-amine

C17H37N — CID 63421798

IUPAC7-methyl-N-octan-2-yloctan-1-amine
SMILESCCCCCCC(C)NCCCCCCC(C)C
InChIInChI=1S/C17H37N/c1-5-6-7-11-14-17(4)18-15-12-9-8-10-13-16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyCROLSUAIFSXXRX-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.54
Rot. Bonds13

About 7-methyl-N-octan-2-yloctan-1-amine

7-methyl-N-octan-2-yloctan-1-amine (PubChem CID 63421798) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 7-methyl-N-octan-2-yloctan-1-amine.

Molecular Properties

Compound Name7-methyl-N-octan-2-yloctan-1-amine
PubChem CID63421798
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name7-methyl-N-octan-2-yloctan-1-amine
SMILESCCCCCCC(C)NCCCCCCC(C)C
InChIInChI=1S/C17H37N/c1-5-6-7-11-14-17(4)18-15-12-9-8-10-13-16(2)3/h16-18H,5-15H2,1-4H3
InChIKeyCROLSUAIFSXXRX-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 7-methyl-N-octan-2-yloctan-1-amine?
The IUPAC name of 7-methyl-N-octan-2-yloctan-1-amine (CID 63421798) is 7-methyl-N-octan-2-yloctan-1-amine.
What is the SMILES notation for 7-methyl-N-octan-2-yloctan-1-amine?
The canonical SMILES for 7-methyl-N-octan-2-yloctan-1-amine is CCCCCCC(C)NCCCCCCC(C)C.
What is the InChIKey of 7-methyl-N-octan-2-yloctan-1-amine?
The InChIKey is CROLSUAIFSXXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-5-6-7-11-14-17(4)18-15-12-9-8-10-13-16(2)3/h16-18H,5-15H2,1-4H3.
What are the key properties of 7-methyl-N-octan-2-yloctan-1-amine?
7-methyl-N-octan-2-yloctan-1-amine has a molecular weight of 255.49 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-octan-2-yloctan-1-amine is sourced from PubChem (CID 63421798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).