4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine

C23H49N3O — CID 156867142

IUPAC4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine
SMILESCNCC(C)(C)CC(C)(C)N1CCCN(CC(C)(C)CC(C)(C)OC)CC1
InChIInChI=1S/C23H49N3O/c1-20(2,18-24-9)16-22(5,6)26-13-11-12-25(14-15-26)19-21(3,4)17-23(7,8)27-10/h24H,11-19H2,1-10H3
InChIKeyMVUONQUTUJOZGH-UHFFFAOYSA-N
MW383.67 g/mol
LogP4.25
Rot. Bonds10

About 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine

4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine (PubChem CID 156867142) has the molecular formula C23H49N3O and a molecular weight of 383.67 g/mol. Its IUPAC name is 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine
PubChem CID156867142
Molecular FormulaC23H49N3O
Molecular Weight383.67 g/mol
Exact Mass383.39
IUPAC Name4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine
SMILESCNCC(C)(C)CC(C)(C)N1CCCN(CC(C)(C)CC(C)(C)OC)CC1
InChIInChI=1S/C23H49N3O/c1-20(2,18-24-9)16-22(5,6)26-13-11-12-25(14-15-26)19-21(3,4)17-23(7,8)27-10/h24H,11-19H2,1-10H3
InChIKeyMVUONQUTUJOZGH-UHFFFAOYSA-N
XLogP4.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine with MolForge

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Related Compounds

1-(4-Methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
CID 123670940
4-[4-(2-amino-4-methoxy-4-methylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine;ethane
CID 142367475
Ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-(2,4,4-trimethylhexan-2-yl)-1,4-diazepane
CID 142409733
1-(4-Methoxy-2,2,4-trimethylpentyl)-4-(2,4,4-trimethylhexan-2-yl)-1,4-diazepane
CID 142409734
N'-(4-methoxy-2,2,4-trimethylpentyl)-N-methyl-N'-propylethane-1,2-diamine
CID 144147499
1-(4-Methoxy-2,2,4-trimethylpentyl)-4-(2-methylpentan-2-yl)-1,4-diazepane
CID 155031343
Ethane;1-(5-methoxy-2,4,4-trimethylpentan-2-yl)-4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepane
CID 156867103
ethane;4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine
CID 156867141
Ethane;1-(4-methoxy-2,2,4-trimethylpentyl)-4-(2,4,4-trimethylhexan-2-yl)-1,4-diazepane
CID 165137891
2-(2-Ethyl-4-methyl-1,4-diazepan-1-yl)-4-methoxy-4-methylpentan-1-amine
CID 105586655
3-Cyclopropyl-1-(4-methoxy-2,2-dimethylbutyl)-3-methyl-1,4-diazepane
CID 105889568
3,3-Diethyl-1-(4-methoxy-2,2-dimethylbutyl)-1,4-diazepane
CID 105889656

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine?
The IUPAC name of 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine (CID 156867142) is 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine.
What is the SMILES notation for 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine?
The canonical SMILES for 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine is CNCC(C)(C)CC(C)(C)N1CCCN(CC(C)(C)CC(C)(C)OC)CC1.
What is the InChIKey of 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine?
The InChIKey is MVUONQUTUJOZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49N3O/c1-20(2,18-24-9)16-22(5,6)26-13-11-12-25(14-15-26)19-21(3,4)17-23(7,8)27-10/h24H,11-19H2,1-10H3.
What are the key properties of 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine?
4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine has a molecular weight of 383.67 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-2,2,4-trimethylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine is sourced from PubChem (CID 156867142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).