N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine

C14H26F3N3 — CID 170075503

IUPACN-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine
SMILESCCNCCC(C)CN(C)/C=C(\N)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-4-19-8-5-11(2)9-20(3)10-12(18)13(6-7-13)14(15,16)17/h10-11,19H,4-9,18H2,1-3H3/b12-10-
InChIKeyBHLFAWUFVMOXIB-BENRWUELSA-N
MW293.38 g/mol
LogP2.70
Rot. Bonds8

About N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine

N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine (PubChem CID 170075503) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine
PubChem CID170075503
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine
SMILESCCNCCC(C)CN(C)/C=C(\N)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-4-19-8-5-11(2)9-20(3)10-12(18)13(6-7-13)14(15,16)17/h10-11,19H,4-9,18H2,1-3H3/b12-10-
InChIKeyBHLFAWUFVMOXIB-BENRWUELSA-N
XLogP2.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine (CID 170075503) is N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine is CCNCCC(C)CN(C)/C=C(\N)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine?
The InChIKey is BHLFAWUFVMOXIB-BENRWUELSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-4-19-8-5-11(2)9-20(3)10-12(18)13(6-7-13)14(15,16)17/h10-11,19H,4-9,18H2,1-3H3/b12-10-.
What are the key properties of N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine?
N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine has a molecular weight of 293.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-2-[1-(trifluoromethyl)cyclopropyl]ethenyl]-N'-ethyl-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 170075503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).