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

C10H18FN — CID 126549239

IUPAC(1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine
SMILESC=C(F)/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C10H18FN/c1-8(11)9(7-12(5)6)10(2,3)4/h7H,1H2,2-6H3/b9-7+
InChIKeyGDSYNFBDOSDITL-VQHVLOKHSA-N
MW171.26 g/mol
LogP2.96
Rot. Bonds2

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

(1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine (PubChem CID 126549239) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine
PubChem CID126549239
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine
SMILESC=C(F)/C(=C\N(C)C)C(C)(C)C
InChIInChI=1S/C10H18FN/c1-8(11)9(7-12(5)6)10(2,3)4/h7H,1H2,2-6H3/b9-7+
InChIKeyGDSYNFBDOSDITL-VQHVLOKHSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.96
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 (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine (CID 126549239) is (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine is C=C(F)/C(=C\N(C)C)C(C)(C)C.
What is the InChIKey of (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine?
The InChIKey is GDSYNFBDOSDITL-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(11)9(7-12(5)6)10(2,3)4/h7H,1H2,2-6H3/b9-7+.
What are the key properties of (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine?
(1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-tert-butyl-3-fluoro-N,N-dimethylbuta-1,3-dien-1-amine is sourced from PubChem (CID 126549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).