N,2-ditert-butyl-4-methylpentan-1-amine

C14H31N — CID 83138454

IUPACN,2-ditert-butyl-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-11(2)9-12(13(3,4)5)10-15-14(6,7)8/h11-12,15H,9-10H2,1-8H3
InChIKeyISNVPSFKCVWGTI-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds4

About N,2-ditert-butyl-4-methylpentan-1-amine

N,2-ditert-butyl-4-methylpentan-1-amine (PubChem CID 83138454) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N,2-ditert-butyl-4-methylpentan-1-amine.

Molecular Properties

Compound NameN,2-ditert-butyl-4-methylpentan-1-amine
PubChem CID83138454
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN,2-ditert-butyl-4-methylpentan-1-amine
SMILESCC(C)CC(CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-11(2)9-12(13(3,4)5)10-15-14(6,7)8/h11-12,15H,9-10H2,1-8H3
InChIKeyISNVPSFKCVWGTI-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-ditert-butyl-4-methylpentan-1-amine?
The IUPAC name of N,2-ditert-butyl-4-methylpentan-1-amine (CID 83138454) is N,2-ditert-butyl-4-methylpentan-1-amine.
What is the SMILES notation for N,2-ditert-butyl-4-methylpentan-1-amine?
The canonical SMILES for N,2-ditert-butyl-4-methylpentan-1-amine is CC(C)CC(CNC(C)(C)C)C(C)(C)C.
What is the InChIKey of N,2-ditert-butyl-4-methylpentan-1-amine?
The InChIKey is ISNVPSFKCVWGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-11(2)9-12(13(3,4)5)10-15-14(6,7)8/h11-12,15H,9-10H2,1-8H3.
What are the key properties of N,2-ditert-butyl-4-methylpentan-1-amine?
N,2-ditert-butyl-4-methylpentan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-ditert-butyl-4-methylpentan-1-amine is sourced from PubChem (CID 83138454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).