2-tert-butyl-3-methyl-N-propylpentan-1-amine

C13H29N — CID 83138330

IUPAC2-tert-butyl-3-methyl-N-propylpentan-1-amine
SMILESCCCNCC(C(C)CC)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-14-10-12(11(3)8-2)13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyZADIFVUKYCARNW-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds6

About 2-tert-butyl-3-methyl-N-propylpentan-1-amine

2-tert-butyl-3-methyl-N-propylpentan-1-amine (PubChem CID 83138330) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-N-propylpentan-1-amine
PubChem CID83138330
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-tert-butyl-3-methyl-N-propylpentan-1-amine
SMILESCCCNCC(C(C)CC)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-14-10-12(11(3)8-2)13(4,5)6/h11-12,14H,7-10H2,1-6H3
InChIKeyZADIFVUKYCARNW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
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-tert-butyl-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 2-tert-butyl-3-methyl-N-propylpentan-1-amine (CID 83138330) is 2-tert-butyl-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-3-methyl-N-propylpentan-1-amine is CCCNCC(C(C)CC)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-N-propylpentan-1-amine?
The InChIKey is ZADIFVUKYCARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-14-10-12(11(3)8-2)13(4,5)6/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 2-tert-butyl-3-methyl-N-propylpentan-1-amine?
2-tert-butyl-3-methyl-N-propylpentan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 83138330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).