4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine

C22H43N — CID 123291991

IUPAC4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine
SMILESC=C=C(C)C(CCC)CC(CC(C)C(C)C)C(C)(C)C(C)NC
InChIInChI=1S/C22H43N/c1-11-13-20(17(5)12-2)15-21(14-18(6)16(3)4)22(8,9)19(7)23-10/h16,18-21,23H,2,11,13-15H2,1,3-10H3
InChIKeyYSYULVZUDGFBTF-UHFFFAOYSA-N
MW321.59 g/mol
LogP6.46
Rot. Bonds11

About 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine

4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine (PubChem CID 123291991) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine
PubChem CID123291991
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC Name4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine
SMILESC=C=C(C)C(CCC)CC(CC(C)C(C)C)C(C)(C)C(C)NC
InChIInChI=1S/C22H43N/c1-11-13-20(17(5)12-2)15-21(14-18(6)16(3)4)22(8,9)19(7)23-10/h16,18-21,23H,2,11,13-15H2,1,3-10H3
InChIKeyYSYULVZUDGFBTF-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine?
The IUPAC name of 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine (CID 123291991) is 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine.
What is the SMILES notation for 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine?
The canonical SMILES for 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine is C=C=C(C)C(CCC)CC(CC(C)C(C)C)C(C)(C)C(C)NC.
What is the InChIKey of 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine?
The InChIKey is YSYULVZUDGFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-11-13-20(17(5)12-2)15-21(14-18(6)16(3)4)22(8,9)19(7)23-10/h16,18-21,23H,2,11,13-15H2,1,3-10H3.
What are the key properties of 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine?
4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine has a molecular weight of 321.59 g/mol, XLogP of 6.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutyl)-N,3,3,7-tetramethyl-6-propylnona-7,8-dien-2-amine is sourced from PubChem (CID 123291991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).