3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine

C14H21F2N — CID 156877153

IUPAC3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine
SMILESC=C(/C=C\C)N(C(=C)C(C)C)C1CC(F)(F)C1
InChIInChI=1S/C14H21F2N/c1-6-7-11(4)17(12(5)10(2)3)13-8-14(15,16)9-13/h6-7,10,13H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyBRBFZFDOLTTYDU-SREVYHEPSA-N
MW241.32 g/mol
LogP4.35
Rot. Bonds5

About 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine

3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine (PubChem CID 156877153) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine
PubChem CID156877153
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine
SMILESC=C(/C=C\C)N(C(=C)C(C)C)C1CC(F)(F)C1
InChIInChI=1S/C14H21F2N/c1-6-7-11(4)17(12(5)10(2)3)13-8-14(15,16)9-13/h6-7,10,13H,4-5,8-9H2,1-3H3/b7-6-
InChIKeyBRBFZFDOLTTYDU-SREVYHEPSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.35
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 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine?
The IUPAC name of 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine (CID 156877153) is 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine is C=C(/C=C\C)N(C(=C)C(C)C)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine?
The InChIKey is BRBFZFDOLTTYDU-SREVYHEPSA-N. The full InChI is InChI=1S/C14H21F2N/c1-6-7-11(4)17(12(5)10(2)3)13-8-14(15,16)9-13/h6-7,10,13H,4-5,8-9H2,1-3H3/b7-6-.
What are the key properties of 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine?
3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(3-methylbut-1-en-2-yl)-N-[(3Z)-penta-1,3-dien-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 156877153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).