N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine

C16H33N — CID 126656924

IUPACN-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine
SMILESC=C(C(CCCC)N(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-10-11-12-14(13(2)15(3,4)5)17(9)16(6,7)8/h14H,2,10-12H2,1,3-9H3
InChIKeyQGHGQAJEAUISIR-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.88
Rot. Bonds5

About N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine

N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine (PubChem CID 126656924) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine.

Molecular Properties

Compound NameN-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine
PubChem CID126656924
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine
SMILESC=C(C(CCCC)N(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H33N/c1-10-11-12-14(13(2)15(3,4)5)17(9)16(6,7)8/h14H,2,10-12H2,1,3-9H3
InChIKeyQGHGQAJEAUISIR-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine?
The IUPAC name of N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine (CID 126656924) is N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine.
What is the SMILES notation for N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine?
The canonical SMILES for N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine is C=C(C(CCCC)N(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine?
The InChIKey is QGHGQAJEAUISIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-10-11-12-14(13(2)15(3,4)5)17(9)16(6,7)8/h14H,2,10-12H2,1,3-9H3.
What are the key properties of N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine?
N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine has a molecular weight of 239.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N,2,2-trimethyl-3-methylideneoctan-4-amine is sourced from PubChem (CID 126656924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).