N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine

C17H36N2 — CID 59883896

IUPACN-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine
SMILESCCNC1CC(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C17H36N2/c1-11-18-13-12-14(2,3)16(6,7)19(10)17(8,9)15(13,4)5/h13,18H,11-12H2,1-10H3
InChIKeyZBTPSWSMERHARF-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds2

About N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine

N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine (PubChem CID 59883896) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine
PubChem CID59883896
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine
SMILESCCNC1CC(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C
InChIInChI=1S/C17H36N2/c1-11-18-13-12-14(2,3)16(6,7)19(10)17(8,9)15(13,4)5/h13,18H,11-12H2,1-10H3
InChIKeyZBTPSWSMERHARF-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine?
The IUPAC name of N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine (CID 59883896) is N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine.
What is the SMILES notation for N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine?
The canonical SMILES for N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine is CCNC1CC(C)(C)C(C)(C)N(C)C(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine?
The InChIKey is ZBTPSWSMERHARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-11-18-13-12-14(2,3)16(6,7)19(10)17(8,9)15(13,4)5/h13,18H,11-12H2,1-10H3.
What are the key properties of N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine?
N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,2,3,3,6,6,7,7-nonamethylazepan-4-amine is sourced from PubChem (CID 59883896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).