N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine

C13H30N2O — CID 62562216

IUPACN'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
SMILESCOCCNCCCCN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-13(2,3)12-15(4)10-7-6-8-14-9-11-16-5/h14H,6-12H2,1-5H3
InChIKeyLWSOQNVBORPHLH-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds9

About N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine

N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine (PubChem CID 62562216) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
PubChem CID62562216
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
SMILESCOCCNCCCCN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-13(2,3)12-15(4)10-7-6-8-14-9-11-16-5/h14H,6-12H2,1-5H3
InChIKeyLWSOQNVBORPHLH-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxyethyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 81068399
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728
N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 62557181
N',N'-dibutyl-N-(2-methoxyethyl)butane-1,4-diamine
CID 62569487
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63982714
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191
3-tert-butylsulfanyl-N-(2-methoxyethyl)propan-1-amine
CID 62576720
N,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009363
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N'-cyclopropyl-N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62568426

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine (CID 62562216) is N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine is COCCNCCCCN(C)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
The InChIKey is LWSOQNVBORPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-13(2,3)12-15(4)10-7-6-8-14-9-11-16-5/h14H,6-12H2,1-5H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine?
N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62562216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).