3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine

C18H45F2N3 — CID 172563999

IUPAC3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC.CC.CC(C)N(C)CCN(C)C.CN(C)CCC(C)(F)F
InChIInChI=1S/C8H20N2.C6H13F2N.2C2H6/c1-8(2)10(5)7-6-9(3)4;1-6(7,8)4-5-9(2)3;2*1-2/h8H,6-7H2,1-5H3;4-5H2,1-3H3;2*1-2H3
InChIKeyPBRXTXZDTFMNGU-UHFFFAOYSA-N
MW341.58 g/mol
LogP4.53
Rot. Bonds7

About 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine

3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 172563999) has the molecular formula C18H45F2N3 and a molecular weight of 341.58 g/mol. Its IUPAC name is 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID172563999
Molecular FormulaC18H45F2N3
Molecular Weight341.58 g/mol
Exact Mass341.36
IUPAC Name3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC.CC.CC(C)N(C)CCN(C)C.CN(C)CCC(C)(F)F
InChIInChI=1S/C8H20N2.C6H13F2N.2C2H6/c1-8(2)10(5)7-6-9(3)4;1-6(7,8)4-5-9(2)3;2*1-2/h8H,6-7H2,1-5H3;4-5H2,1-3H3;2*1-2H3
InChIKeyPBRXTXZDTFMNGU-UHFFFAOYSA-N
XLogP4.53
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine with MolForge

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Related Compounds

propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
3,3-difluoro-N,N,4,4-tetramethylpentan-1-amine
CID 164750438
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
CID 163258441
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
4,4-difluoro-N,N,3,3-tetramethylbutan-1-amine
CID 170950191
N,N,N',N',3,3-hexamethylpentane-1,5-diamine
CID 143746016
3-[2-(dimethylamino)ethyl]-N,N,N',N',3-pentamethylpentane-1,5-diamine
CID 89049269
1-N,1-N,3,4-tetramethylpentane-1,3-diamine
CID 57171035

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine (CID 172563999) is 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine is CC.CC.CC(C)N(C)CCN(C)C.CN(C)CCC(C)(F)F.
What is the InChIKey of 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is PBRXTXZDTFMNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C6H13F2N.2C2H6/c1-8(2)10(5)7-6-9(3)4;1-6(7,8)4-5-9(2)3;2*1-2/h8H,6-7H2,1-5H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine?
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 341.58 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 172563999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).