(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine

C10H19N — CID 134200134

IUPAC(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine
SMILESCC/C=C(\C=C/N)C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-6-9(7-8-11)10(2,3)4/h6-8H,5,11H2,1-4H3/b8-7-,9-6+
InChIKeyBSZIEHHXNPUYKT-SOKJVCRVSA-N
MW153.27 g/mol
LogP2.84
Rot. Bonds2

About (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine

(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine (PubChem CID 134200134) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine
PubChem CID134200134
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine
SMILESCC/C=C(\C=C/N)C(C)(C)C
InChIInChI=1S/C10H19N/c1-5-6-9(7-8-11)10(2,3)4/h6-8H,5,11H2,1-4H3/b8-7-,9-6+
InChIKeyBSZIEHHXNPUYKT-SOKJVCRVSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine (CID 134200134) is (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine is CC/C=C(\C=C/N)C(C)(C)C.
What is the InChIKey of (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine?
The InChIKey is BSZIEHHXNPUYKT-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-9(7-8-11)10(2,3)4/h6-8H,5,11H2,1-4H3/b8-7-,9-6+.
What are the key properties of (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine?
(1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-tert-butylhexa-1,3-dien-1-amine is sourced from PubChem (CID 134200134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).