2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C11H25FN2 — CID 81106814

IUPAC2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCCF
InChIInChI=1S/C11H25FN2/c1-10(2)8-11(9-14(3)4)13-7-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeyDPFZCWSWIMBPJD-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.91
Rot. Bonds8

About 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 81106814) has the molecular formula C11H25FN2 and a molecular weight of 204.33 g/mol. Its IUPAC name is 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID81106814
Molecular FormulaC11H25FN2
Molecular Weight204.33 g/mol
Exact Mass204.20
IUPAC Name2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCCF
InChIInChI=1S/C11H25FN2/c1-10(2)8-11(9-14(3)4)13-7-5-6-12/h10-11,13H,5-9H2,1-4H3
InChIKeyDPFZCWSWIMBPJD-UHFFFAOYSA-N
XLogP1.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 81106814) is 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NCCCF.
What is the InChIKey of 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is DPFZCWSWIMBPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FN2/c1-10(2)8-11(9-14(3)4)13-7-5-6-12/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 204.33 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoropropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 81106814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).