2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine

C14H32N2 — CID 63964791

IUPAC2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)C(C)(C)CC
InChIInChI=1S/C14H32N2/c1-8-10-15-11-13(12(3)4)16(7)14(5,6)9-2/h12-13,15H,8-11H2,1-7H3
InChIKeyTXEXZCRMXFWKQY-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds8

About 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine

2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine (PubChem CID 63964791) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine
PubChem CID63964791
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(C(C)C)N(C)C(C)(C)CC
InChIInChI=1S/C14H32N2/c1-8-10-15-11-13(12(3)4)16(7)14(5,6)9-2/h12-13,15H,8-11H2,1-7H3
InChIKeyTXEXZCRMXFWKQY-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-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

1-N-tert-butyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)butane-1,2-diamine
CID 63965886
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63966558
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 62436501
2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
CID 63983796
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 62456775
2-N,3-dimethyl-2-N-(2-methylsulfonylethyl)-1-N-propylbutane-1,2-diamine
CID 79858506
2-N,2-N-bis(2-ethoxyethyl)-3-methyl-1-N-propylbutane-1,2-diamine
CID 82952256
N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
CID 123293634
2-tert-butyl-N-propylhexan-1-amine
CID 83138918
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
2-methyl-N-propylpropan-1-amine
CID 520943

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine (CID 63964791) is 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine is CCCNCC(C(C)C)N(C)C(C)(C)CC.
What is the InChIKey of 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine?
The InChIKey is TXEXZCRMXFWKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-10-15-11-13(12(3)4)16(7)14(5,6)9-2/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine?
2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63964791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).