(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane

C14H25F2N — CID 144717287

IUPAC(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane
SMILESC=C(C)/C=C\C(=C)N(C)CC(F)(F)CC.CC
InChIInChI=1S/C12H19F2N.C2H6/c1-6-12(13,14)9-15(5)11(4)8-7-10(2)3;1-2/h7-8H,2,4,6,9H2,1,3,5H3;1-2H3/b8-7-;
InChIKeyGPVZPZHPAQHZSE-CFYXSCKTSA-N
MW245.36 g/mol
LogP4.64
Rot. Bonds6

About (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane

(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane (PubChem CID 144717287) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane.

Molecular Properties

Compound Name(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane
PubChem CID144717287
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane
SMILESC=C(C)/C=C\C(=C)N(C)CC(F)(F)CC.CC
InChIInChI=1S/C12H19F2N.C2H6/c1-6-12(13,14)9-15(5)11(4)8-7-10(2)3;1-2/h7-8H,2,4,6,9H2,1,3,5H3;1-2H3/b8-7-;
InChIKeyGPVZPZHPAQHZSE-CFYXSCKTSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium N,N-dimethyl-4-(trifluoromethyl)benzene-5-id-1-amine
CID 57534395
2-Methylidene-1-(2-methylpropyl)-5-(trifluoromethyl)pyridine
CID 67473380
9-(trifluoromethyl)-4H-quinolizine
CID 88314887
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
1-Ethyl-4-methyl-5,7-bis(trifluoromethyl)-2,3-dihydroazepine
CID 90084209
1-Ethyl-2,4-bis(trifluoromethyl)-1-azacyclohepta-2,4,5-triene
CID 90084212
1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane?
The IUPAC name of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane (CID 144717287) is (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane.
What is the SMILES notation for (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane?
The canonical SMILES for (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane is C=C(C)/C=C\C(=C)N(C)CC(F)(F)CC.CC.
What is the InChIKey of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane?
The InChIKey is GPVZPZHPAQHZSE-CFYXSCKTSA-N. The full InChI is InChI=1S/C12H19F2N.C2H6/c1-6-12(13,14)9-15(5)11(4)8-7-10(2)3;1-2/h7-8H,2,4,6,9H2,1,3,5H3;1-2H3/b8-7-;.
What are the key properties of (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane?
(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane has a molecular weight of 245.36 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane is sourced from PubChem (CID 144717287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).