2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine

C15H33N — CID 144740833

IUPAC2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine
SMILESCCN(CC)CC(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-9-16(10-2)12-13(15(6,7)8)11-14(3,4)5/h13H,9-12H2,1-8H3
InChIKeyCKAMFSBEFZMTPQ-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.43
Rot. Bonds5

About 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine

2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine (PubChem CID 144740833) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine
PubChem CID144740833
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine
SMILESCCN(CC)CC(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H33N/c1-9-16(10-2)12-13(15(6,7)8)11-14(3,4)5/h13H,9-12H2,1-8H3
InChIKeyCKAMFSBEFZMTPQ-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine (CID 144740833) is 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine is CCN(CC)CC(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine?
The InChIKey is CKAMFSBEFZMTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-9-16(10-2)12-13(15(6,7)8)11-14(3,4)5/h13H,9-12H2,1-8H3.
What are the key properties of 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine?
2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine has a molecular weight of 227.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-diethyl-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 144740833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).