3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)

C10H18F6N2O4 — CID 171932253

IUPAC3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(CCN)N(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H16N2.2C2HF3O2/c1-6(4-5-7)8(2)3;2*3-2(4,5)1(6)7/h6H,4-5,7H2,1-3H3;2*(H,6,7)
InChIKeyARMKYZNDCCVJAQ-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.55
Rot. Bonds3

About 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)

3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171932253) has the molecular formula C10H18F6N2O4 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171932253
Molecular FormulaC10H18F6N2O4
Molecular Weight344.25 g/mol
Exact Mass344.12
IUPAC Name3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(CCN)N(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H16N2.2C2HF3O2/c1-6(4-5-7)8(2)3;2*3-2(4,5)1(6)7/h6H,4-5,7H2,1-3H3;2*(H,6,7)
InChIKeyARMKYZNDCCVJAQ-UHFFFAOYSA-N
XLogP1.55
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N,N-dimethylmethanamine;propanamide;2,2,2-trifluoroacetic acid
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[(2R)-4-aminobutan-2-yl]-tert-butylcarbamic acid
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N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
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(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 87130668
(2R)-2-[(2-aminoacetyl)-methylamino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid
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2,4-diamino-N-[3-(dimethylamino)butyl]butanamide
CID 91339588

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid) (CID 171932253) is 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid) is CC(CCN)N(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ARMKYZNDCCVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2C2HF3O2/c1-6(4-5-7)8(2)3;2*3-2(4,5)1(6)7/h6H,4-5,7H2,1-3H3;2*(H,6,7).
What are the key properties of 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid)?
3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 344.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylbutane-1,3-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171932253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).