4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine

C10H20F2N2 — CID 129247745

IUPAC4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(NCC1CCC(N)CC1)C(F)F
InChIInChI=1S/C10H20F2N2/c1-7(10(11)12)14-6-8-2-4-9(13)5-3-8/h7-10,14H,2-6,13H2,1H3
InChIKeyNMWMXVJCCIFFAN-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.75
Rot. Bonds4

About 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine

4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine (PubChem CID 129247745) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine
PubChem CID129247745
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCC(NCC1CCC(N)CC1)C(F)F
InChIInChI=1S/C10H20F2N2/c1-7(10(11)12)14-6-8-2-4-9(13)5-3-8/h7-10,14H,2-6,13H2,1H3
InChIKeyNMWMXVJCCIFFAN-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine (CID 129247745) is 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine is CC(NCC1CCC(N)CC1)C(F)F.
What is the InChIKey of 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine?
The InChIKey is NMWMXVJCCIFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-7(10(11)12)14-6-8-2-4-9(13)5-3-8/h7-10,14H,2-6,13H2,1H3.
What are the key properties of 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine?
4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-difluoropropan-2-ylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 129247745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).