N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine

C7H17FN2 — CID 167503143

IUPACN'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine
SMILESCCCC(C)N(F)CNC
InChIInChI=1S/C7H17FN2/c1-4-5-7(2)10(8)6-9-3/h7,9H,4-6H2,1-3H3
InChIKeyKIPUVDCXQXTNNC-UHFFFAOYSA-N
MW148.23 g/mol
LogP1.54
Rot. Bonds5

About N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine

N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine (PubChem CID 167503143) has the molecular formula C7H17FN2 and a molecular weight of 148.23 g/mol. Its IUPAC name is N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine.

Molecular Properties

Compound NameN'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine
PubChem CID167503143
Molecular FormulaC7H17FN2
Molecular Weight148.23 g/mol
Exact Mass148.14
IUPAC NameN'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine
SMILESCCCC(C)N(F)CNC
InChIInChI=1S/C7H17FN2/c1-4-5-7(2)10(8)6-9-3/h7,9H,4-6H2,1-3H3
InChIKeyKIPUVDCXQXTNNC-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-dimethyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 62432184
N-methyl-4-propan-2-ylheptan-1-amine
CID 139333212
ethane;N-fluoro-N-methylethanamine;N-methylpropan-1-amine
CID 176946215
N,3,6-trimethylnonan-1-amine
CID 139316935
N,N-dihydroxypentan-2-amine
CID 87329779
1-butyl-2-methyl-1-pentan-2-ylhydrazine
CID 142110512
N,12-dimethylpentadecan-1-amine
CID 174486923
N,N'-diethyl-N'-pentan-2-ylmethanediamine
CID 156888223
1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
CID 143945019
1-(methylamino)-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 43571982
1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
CID 62423084
N-methylpentan-2-amine;hydrochloride
CID 42919600

Frequently Asked Questions

What is the IUPAC name of N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine?
The IUPAC name of N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine (CID 167503143) is N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine.
What is the SMILES notation for N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine?
The canonical SMILES for N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine is CCCC(C)N(F)CNC.
What is the InChIKey of N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine?
The InChIKey is KIPUVDCXQXTNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2/c1-4-5-7(2)10(8)6-9-3/h7,9H,4-6H2,1-3H3.
What are the key properties of N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine?
N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine has a molecular weight of 148.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-fluoro-N-methyl-N'-pentan-2-ylmethanediamine is sourced from PubChem (CID 167503143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).