(3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine

C11H21N — CID 126703146

IUPAC(3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)N(C)C(C)(C)C
InChIInChI=1S/C11H21N/c1-7-8-9-10(2)12(6)11(3,4)5/h8-9H,2,7H2,1,3-6H3/b9-8-
InChIKeyPTTGGMYBXANWIC-HJWRWDBZSA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds3

About (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine

(3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine (PubChem CID 126703146) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine
PubChem CID126703146
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine
SMILESC=C(/C=C\CC)N(C)C(C)(C)C
InChIInChI=1S/C11H21N/c1-7-8-9-10(2)12(6)11(3,4)5/h8-9H,2,7H2,1,3-6H3/b9-8-
InChIKeyPTTGGMYBXANWIC-HJWRWDBZSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
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 (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine (CID 126703146) is (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine is C=C(/C=C\CC)N(C)C(C)(C)C.
What is the InChIKey of (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine?
The InChIKey is PTTGGMYBXANWIC-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H21N/c1-7-8-9-10(2)12(6)11(3,4)5/h8-9H,2,7H2,1,3-6H3/b9-8-.
What are the key properties of (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine?
(3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-tert-butyl-N-methylhexa-1,3-dien-2-amine is sourced from PubChem (CID 126703146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).