N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H36N2O — CID 62259831

IUPACN-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)N(CCOC)CC(C)(C)CNCC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(4)18(9-10-19-7)13-16(5,6)12-17-11-14(2)3/h14-15,17H,8-13H2,1-7H3
InChIKeyZJEZRARJIMESCU-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.01
Rot. Bonds11

About N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62259831) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62259831
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)N(CCOC)CC(C)(C)CNCC(C)C
InChIInChI=1S/C16H36N2O/c1-8-15(4)18(9-10-19-7)13-16(5,6)12-17-11-14(2)3/h14-15,17H,8-13H2,1-7H3
InChIKeyZJEZRARJIMESCU-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 82953405
6-methoxy-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 104649302
2-N-(2-methoxyethyl)-1-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 55074311
N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 62266357
3-N-butan-2-yl-3-N-(2-methoxyethyl)-2-methyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019817
3-methoxy-2-N,2-N-bis(2-methoxyethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226257
3-N-ethyl-3-N-(2-methoxyethyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 62437184
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
2-(2-methoxyethyl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83150406
N',N'-bis(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62462476
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62259831) is N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)N(CCOC)CC(C)(C)CNCC(C)C.
What is the InChIKey of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is ZJEZRARJIMESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-8-15(4)18(9-10-19-7)13-16(5,6)12-17-11-14(2)3/h14-15,17H,8-13H2,1-7H3.
What are the key properties of N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2-methoxyethyl)-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62259831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).