(2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine

C20H43N — CID 88892565

IUPAC(2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine
SMILESCCCC(C)C(C(CC)C[C@@H](C)NC)C(C)(C)CC(C)C
InChIInChI=1S/C20H43N/c1-10-12-16(5)19(20(7,8)14-15(3)4)18(11-2)13-17(6)21-9/h15-19,21H,10-14H2,1-9H3/t16?,17-,18?,19?/m1/s1
InChIKeyBTFBGVVPEGNDLA-WNWFYTGBSA-N
MW297.57 g/mol
LogP6.14
Rot. Bonds11

About (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine

(2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine (PubChem CID 88892565) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine.

Molecular Properties

Compound Name(2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine
PubChem CID88892565
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name(2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine
SMILESCCCC(C)C(C(CC)C[C@@H](C)NC)C(C)(C)CC(C)C
InChIInChI=1S/C20H43N/c1-10-12-16(5)19(20(7,8)14-15(3)4)18(11-2)13-17(6)21-9/h15-19,21H,10-14H2,1-9H3/t16?,17-,18?,19?/m1/s1
InChIKeyBTFBGVVPEGNDLA-WNWFYTGBSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine?
The IUPAC name of (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine (CID 88892565) is (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine.
What is the SMILES notation for (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine?
The canonical SMILES for (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine is CCCC(C)C(C(CC)C[C@@H](C)NC)C(C)(C)CC(C)C.
What is the InChIKey of (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine?
The InChIKey is BTFBGVVPEGNDLA-WNWFYTGBSA-N. The full InChI is InChI=1S/C20H43N/c1-10-12-16(5)19(20(7,8)14-15(3)4)18(11-2)13-17(6)21-9/h15-19,21H,10-14H2,1-9H3/t16?,17-,18?,19?/m1/s1.
What are the key properties of (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine?
(2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine has a molecular weight of 297.57 g/mol, XLogP of 6.14, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-ethyl-N,6,6,8-tetramethyl-5-pentan-2-ylnonan-2-amine is sourced from PubChem (CID 88892565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).