2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine

C18H39N — CID 21355494

IUPAC2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine
SMILESCC(C)CC(C)NCC(C)CCC(C)CC(C)(C)C
InChIInChI=1S/C18H39N/c1-14(2)11-17(5)19-13-16(4)10-9-15(3)12-18(6,7)8/h14-17,19H,9-13H2,1-8H3
InChIKeySMFWINVFQSPRAK-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.50
Rot. Bonds9

About 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine

2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine (PubChem CID 21355494) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine.

Molecular Properties

Compound Name2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine
PubChem CID21355494
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC Name2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine
SMILESCC(C)CC(C)NCC(C)CCC(C)CC(C)(C)C
InChIInChI=1S/C18H39N/c1-14(2)11-17(5)19-13-16(4)10-9-15(3)12-18(6,7)8/h14-17,19H,9-13H2,1-8H3
InChIKeySMFWINVFQSPRAK-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine?
The IUPAC name of 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine (CID 21355494) is 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine.
What is the SMILES notation for 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine?
The canonical SMILES for 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine is CC(C)CC(C)NCC(C)CCC(C)CC(C)(C)C.
What is the InChIKey of 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine?
The InChIKey is SMFWINVFQSPRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-14(2)11-17(5)19-13-16(4)10-9-15(3)12-18(6,7)8/h14-17,19H,9-13H2,1-8H3.
What are the key properties of 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine?
2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,7-tetramethyl-N-(4-methylpentan-2-yl)octan-1-amine is sourced from PubChem (CID 21355494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).