1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine

C10H23FN2 — CID 162382785

IUPAC1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
SMILESCCCC(CNCC)N(F)CCC
InChIInChI=1S/C10H23FN2/c1-4-7-10(9-12-6-3)13(11)8-5-2/h10,12H,4-9H2,1-3H3
InChIKeyPKKRAKWUQIYWMM-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.36
Rot. Bonds8

About 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine

1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine (PubChem CID 162382785) has the molecular formula C10H23FN2 and a molecular weight of 190.31 g/mol. Its IUPAC name is 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
PubChem CID162382785
Molecular FormulaC10H23FN2
Molecular Weight190.31 g/mol
Exact Mass190.18
IUPAC Name1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
SMILESCCCC(CNCC)N(F)CCC
InChIInChI=1S/C10H23FN2/c1-4-7-10(9-12-6-3)13(11)8-5-2/h10,12H,4-9H2,1-3H3
InChIKeyPKKRAKWUQIYWMM-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
2-N,2-N-bis(2-ethoxyethyl)-1-N-ethylpentane-1,2-diamine
CID 83046420
1-N-ethyl-2-N-methyl-2-N-(2-methylsulfanylethyl)pentane-1,2-diamine
CID 112665676
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
1-N-ethyl-2-N-methyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83054722
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
1-N-ethyl-2-methyl-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 81012403
1-N-ethyl-2-N-propan-2-yl-2-N-propylpropane-1,2-diamine
CID 62421254
N-ethyl-2-iodopentan-1-amine
CID 163909587

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine (CID 162382785) is 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine is CCCC(CNCC)N(F)CCC.
What is the InChIKey of 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine?
The InChIKey is PKKRAKWUQIYWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FN2/c1-4-7-10(9-12-6-3)13(11)8-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine?
1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine has a molecular weight of 190.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine is sourced from PubChem (CID 162382785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).