2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine

C13H29N — CID 4228492

IUPAC2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
SMILESCCCCCC(C)(C)NC(C)(C)CC
InChIInChI=1S/C13H29N/c1-7-9-10-11-13(5,6)14-12(3,4)8-2/h14H,7-11H2,1-6H3
InChIKeyJLYYUTGQVZJZRQ-UHFFFAOYSA-N
MW199.38 g/mol
LogP4.12
Rot. Bonds7

About 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine

2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine (PubChem CID 4228492) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
PubChem CID4228492
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
SMILESCCCCCC(C)(C)NC(C)(C)CC
InChIInChI=1S/C13H29N/c1-7-9-10-11-13(5,6)14-12(3,4)8-2/h14H,7-11H2,1-6H3
InChIKeyJLYYUTGQVZJZRQ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine (CID 4228492) is 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine is CCCCCC(C)(C)NC(C)(C)CC.
What is the InChIKey of 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
The InChIKey is JLYYUTGQVZJZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-10-11-13(5,6)14-12(3,4)8-2/h14H,7-11H2,1-6H3.
What are the key properties of 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine?
2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbutan-2-yl)heptan-2-amine is sourced from PubChem (CID 4228492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).