N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine

C8H18F2N2 — CID 166136882

IUPACN'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
SMILESCC(C)CN(CN)CC(C)(F)F
InChIInChI=1S/C8H18F2N2/c1-7(2)4-12(6-11)5-8(3,9)10/h7H,4-6,11H2,1-3H3
InChIKeyVTWLXOXFGAOPRV-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.52
Rot. Bonds5

About N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine

N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine (PubChem CID 166136882) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine.

Molecular Properties

Compound NameN'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
PubChem CID166136882
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC NameN'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine
SMILESCC(C)CN(CN)CC(C)(F)F
InChIInChI=1S/C8H18F2N2/c1-7(2)4-12(6-11)5-8(3,9)10/h7H,4-6,11H2,1-3H3
InChIKeyVTWLXOXFGAOPRV-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-difluoropropyl)-N'-methylmethanediamine
CID 134422157
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64566711
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
1-amino-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylpropan-2-ol
CID 64818666
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
3-[bis(2-methylpropyl)amino]-2,2-dimethylpropanal
CID 62276215
1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 18411129
2-amino-3-[ethyl(2-methylpropyl)amino]-2-methylpropan-1-ol
CID 64797216
3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 54182914
N'-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 65247053
1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
The IUPAC name of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine (CID 166136882) is N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine.
What is the SMILES notation for N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
The canonical SMILES for N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine is CC(C)CN(CN)CC(C)(F)F.
What is the InChIKey of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
The InChIKey is VTWLXOXFGAOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2/c1-7(2)4-12(6-11)5-8(3,9)10/h7H,4-6,11H2,1-3H3.
What are the key properties of N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine?
N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine has a molecular weight of 180.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoropropyl)-N'-(2-methylpropyl)methanediamine is sourced from PubChem (CID 166136882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).