N-tert-butyl-5-methylhexa-3,5-dien-1-amine

C11H21N — CID 79597878

IUPACN-tert-butyl-5-methylhexa-3,5-dien-1-amine
SMILESC=C(C)C=CCCNC(C)(C)C
InChIInChI=1S/C11H21N/c1-10(2)8-6-7-9-12-11(3,4)5/h6,8,12H,1,7,9H2,2-5H3
InChIKeyXXHRHFALPNWWRC-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds4

About N-tert-butyl-5-methylhexa-3,5-dien-1-amine

N-tert-butyl-5-methylhexa-3,5-dien-1-amine (PubChem CID 79597878) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-tert-butyl-5-methylhexa-3,5-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-methylhexa-3,5-dien-1-amine
PubChem CID79597878
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-tert-butyl-5-methylhexa-3,5-dien-1-amine
SMILESC=C(C)C=CCCNC(C)(C)C
InChIInChI=1S/C11H21N/c1-10(2)8-6-7-9-12-11(3,4)5/h6,8,12H,1,7,9H2,2-5H3
InChIKeyXXHRHFALPNWWRC-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methylhexa-3,5-dien-1-amine?
The IUPAC name of N-tert-butyl-5-methylhexa-3,5-dien-1-amine (CID 79597878) is N-tert-butyl-5-methylhexa-3,5-dien-1-amine.
What is the SMILES notation for N-tert-butyl-5-methylhexa-3,5-dien-1-amine?
The canonical SMILES for N-tert-butyl-5-methylhexa-3,5-dien-1-amine is C=C(C)C=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-methylhexa-3,5-dien-1-amine?
The InChIKey is XXHRHFALPNWWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)8-6-7-9-12-11(3,4)5/h6,8,12H,1,7,9H2,2-5H3.
What are the key properties of N-tert-butyl-5-methylhexa-3,5-dien-1-amine?
N-tert-butyl-5-methylhexa-3,5-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methylhexa-3,5-dien-1-amine is sourced from PubChem (CID 79597878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).