N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine

C26H53N — CID 90972839

IUPACN-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine
SMILESCC1C(C)C1C(C)(C(C)C)N(C(C)C)C(C)(C(C)C)C(C)(C(C)C)C(C)C
InChIInChI=1S/C26H53N/c1-16(2)24(13,17(3)4)26(15,19(7)8)27(20(9)10)25(14,18(5)6)23-21(11)22(23)12/h16-23H,1-15H3
InChIKeyWBYQUZRGYWVYNY-UHFFFAOYSA-N
MW379.72 g/mol
LogP7.75
Rot. Bonds9

About N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine

N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine (PubChem CID 90972839) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine
PubChem CID90972839
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC NameN-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine
SMILESCC1C(C)C1C(C)(C(C)C)N(C(C)C)C(C)(C(C)C)C(C)(C(C)C)C(C)C
InChIInChI=1S/C26H53N/c1-16(2)24(13,17(3)4)26(15,19(7)8)27(20(9)10)25(14,18(5)6)23-21(11)22(23)12/h16-23H,1-15H3
InChIKeyWBYQUZRGYWVYNY-UHFFFAOYSA-N
XLogP7.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine?
The IUPAC name of N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine (CID 90972839) is N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine.
What is the SMILES notation for N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine?
The canonical SMILES for N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine is CC1C(C)C1C(C)(C(C)C)N(C(C)C)C(C)(C(C)C)C(C)(C(C)C)C(C)C.
What is the InChIKey of N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine?
The InChIKey is WBYQUZRGYWVYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N/c1-16(2)24(13,17(3)4)26(15,19(7)8)27(20(9)10)25(14,18(5)6)23-21(11)22(23)12/h16-23H,1-15H3.
What are the key properties of N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine?
N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine has a molecular weight of 379.72 g/mol, XLogP of 7.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylcyclopropyl)-3-methylbutan-2-yl]-2,3,4,5-tetramethyl-N,4-di(propan-2-yl)hexan-3-amine is sourced from PubChem (CID 90972839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).