N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine

C13H27N — CID 129028135

IUPACN-tert-butyl-N,4,4-trimethylhex-5-en-1-amine
SMILESC=CC(C)(C)CCCN(C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-8-13(5,6)10-9-11-14(7)12(2,3)4/h8H,1,9-11H2,2-7H3
InChIKeyBNQKZPFMQAKEBW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds5

About N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine

N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine (PubChem CID 129028135) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-N,4,4-trimethylhex-5-en-1-amine
PubChem CID129028135
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-tert-butyl-N,4,4-trimethylhex-5-en-1-amine
SMILESC=CC(C)(C)CCCN(C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-8-13(5,6)10-9-11-14(7)12(2,3)4/h8H,1,9-11H2,2-7H3
InChIKeyBNQKZPFMQAKEBW-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
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,4,4-trimethylhex-5-en-1-amine?
The IUPAC name of N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine (CID 129028135) is N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine.
What is the SMILES notation for N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine?
The canonical SMILES for N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine is C=CC(C)(C)CCCN(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine?
The InChIKey is BNQKZPFMQAKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-8-13(5,6)10-9-11-14(7)12(2,3)4/h8H,1,9-11H2,2-7H3.
What are the key properties of N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine?
N-tert-butyl-N,4,4-trimethylhex-5-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 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,4,4-trimethylhex-5-en-1-amine is sourced from PubChem (CID 129028135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).