3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine

C13H26F2N2 — CID 177148551

IUPAC3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(CCN(C)C(C)C)NCC1CC(F)(F)C1
InChIInChI=1S/C13H26F2N2/c1-10(2)17(4)6-5-11(3)16-9-12-7-13(14,15)8-12/h10-12,16H,5-9H2,1-4H3
InChIKeyFGZRYGXPHDPBOP-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.74
Rot. Bonds7

About 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine

3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine (PubChem CID 177148551) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
PubChem CID177148551
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
SMILESCC(CCN(C)C(C)C)NCC1CC(F)(F)C1
InChIInChI=1S/C13H26F2N2/c1-10(2)17(4)6-5-11(3)16-9-12-7-13(14,15)8-12/h10-12,16H,5-9H2,1-4H3
InChIKeyFGZRYGXPHDPBOP-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine (CID 177148551) is 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine is CC(CCN(C)C(C)C)NCC1CC(F)(F)C1.
What is the InChIKey of 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is FGZRYGXPHDPBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-10(2)17(4)6-5-11(3)16-9-12-7-13(14,15)8-12/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine?
3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,3-difluorocyclobutyl)methyl]-1-N-methyl-1-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 177148551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).