1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine

C10H20F2N2 — CID 102870170

IUPAC1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)C(F)F
InChIInChI=1S/C10H20F2N2/c1-8(9(11)12)13-7-10(14(2)3)5-4-6-10/h8-9,13H,4-7H2,1-3H3
InChIKeyVQMGFQMGHQGPJG-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.71
Rot. Bonds5

About 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine

1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 102870170) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID102870170
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(NCC1(N(C)C)CCC1)C(F)F
InChIInChI=1S/C10H20F2N2/c1-8(9(11)12)13-7-10(14(2)3)5-4-6-10/h8-9,13H,4-7H2,1-3H3
InChIKeyVQMGFQMGHQGPJG-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine (CID 102870170) is 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine is CC(NCC1(N(C)C)CCC1)C(F)F.
What is the InChIKey of 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is VQMGFQMGHQGPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(9(11)12)13-7-10(14(2)3)5-4-6-10/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102870170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).